Functionalizing graphene by embedded boron clusters

NASA Astrophysics Data System (ADS)

Quandt, Alexander; Özdoğan, Cem; Kunstmann, Jens; Fehske, Holger

2008-08-01

We present a model system that might serve as a blueprint for the controlled layout of graphene based nanodevices. The systems consists of chains of B7 clusters implanted in a graphene matrix, where the boron clusters are not directly connected. We show that the graphene matrix easily accepts these alternating B7-C6 chains and that the implanted boron components may dramatically modify the electronic properties of graphene based nanomaterials. This suggests a functionalization of graphene nanomaterials, where the semiconducting properties might be supplemented by parts of the graphene matrix itself, but the basic wiring will be provided by alternating chains of implanted boron clusters that connect these areas.

Nanopores creation in boron and nitrogen doped polycrystalline graphene: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Izadifar, Mohammadreza; Abadi, Rouzbeh; Nezhad Shirazi, Ali Hossein; Alajlan, Naif; Rabczuk, Timon

2018-05-01

In the present paper, molecular dynamic simulations have been conducted to investigate the nanopores creation on 10% of boron and nitrogen doped polycrystalline graphene by silicon and diamond nanoclusters. Two types of nanoclusters based on silicon and diamond are used to investigate their effect for the fabrication of nanopores. Therefore, three different diameter sizes of the clusters with five kinetic energies of 10, 50, 100, 300 and 500 eV/atom at four different locations in boron or nitrogen doped polycrystalline graphene nanosheets have been perused. We also study the effect of 3% and 6% of boron doped polycrystalline graphene with the best outcome from 10% of doping. Our results reveal that the diamond cluster with diameter of 2 and 2.5 nm fabricates the largest nanopore areas on boron and nitrogen doped polycrystalline graphene, respectively. Furthermore, the kinetic energies of 10 and 50 eV/atom can not fabricate nanopores in some cases for silicon and diamond clusters on boron doped polycrystalline graphene nanosheets. On the other hand, silicon and diamond clusters fabricate nanopores for all locations and all tested energies on nitrogen doped polycrystalline graphene. The area sizes of nanopores fabricated by silicon and diamond clusters with diameter of 2 and 2.5 nm are close to the actual area size of the related clusters for the kinetic energy of 300 eV/atom in all locations on boron doped polycrystalline graphene. The maximum area and the average maximum area of nanopores are fabricated by the kinetic energy of 500 eV/atom inside the grain boundary at the center of the nanosheet and in the corner of nanosheet with diameters of 2 and 3 nm for silicon and diamond clusters on boron and nitrogen doped polycrystalline graphene.

Planar CoB18- Cluster: a New Motif for - and Metallo-Borophenes

NASA Astrophysics Data System (ADS)

Chen, Teng-Teng; Jian, Tian; Lopez, Gary; Li, Wan-Lu; Chen, Xin; Li, Jun; Wang, Lai-Sheng

2016-06-01

Combined Photoelectron Spectroscopy (PES) and theoretical calculations have found that anion boron clusters (Bn-) are planar and quasi-planar up to B25-. Recent works show that anion pure boron clusters continued to be planar at B27-,B30-,B35- and B36-. B35- and B36- provide the first experimental evidence for the viability of the two-dimensional (2D) boron sheets (Borophene). The 2D to three-dimensional (3D) transitions are shown to happen at B40-,B39- and B28-, which possess cage-like structures. These fullerene-like boron cage clusters are named as Borospherene. Recently, borophenes or similar structures are claimed to be synthesized by several groups. Following an electronic design principle, a series of transition-metal-doped boron clusters (M©Bn-, n=8-10) are found to possess the monocyclic wheel structures. Meanwhile, CoB12- and RhB12- are revealed to adopt half-sandwich-type structures with the quasi-planar B12 moiety similar to the B12- cluster. Very lately, we show that the CoB16- cluster possesses a highly symmetric Cobalt-centered drum-like structure, with a new record of coordination number at 16. Here we report the CoB18- cluster to possess a unique planar structure, in which the Co atom is doped into the network of a planar boron cluster. PES reveals that the CoB18- cluster is a highly stable electronic system with the first adiabatic detachment energy (ADE) at 4.0 eV. Global minimum searches along with high-level quantum calculations show the global minimum for CoB18- is perfectly planar and closed shell (1A1) with C2v symmetry. The Co atom is bonded with 7 boron atoms in the closest coordination shell and the other 11 boron atoms in the outer coordination shell. The calculated vertical detachment energy (VDE) values match quite well with our experimental results. Chemical bonding analysis by the Adaptive Natural Density Partitioning (AdNDP) method shows the CoB18- cluster is π-aromatic with four 4-centered-2-electron (4c-2e) π bonds and one 19-centered-2-electron (19c-2e) π bond, 10 π electrons in total. This perfectly planar structure reveals the viability of creating a new class of hetero-borophenes and metallo-borophenes by doping metal atoms into the plane of monolayer boron atoms. This gives a new approach to design perspective hetero-borophenes and metallo-borophenes materials with tunable chemical, magnetic and optical properties.

MIDA boronates are hydrolysed fast and slow by two different mechanisms

NASA Astrophysics Data System (ADS)

Gonzalez, Jorge A.; Ogba, O. Maduka; Morehouse, Gregory F.; Rosson, Nicholas; Houk, Kendall N.; Leach, Andrew G.; Cheong, Paul H.-Y.; Burke, Martin D.; Lloyd-Jones, Guy C.

2016-11-01

MIDA boronates (N-methylimidodiacetic boronic acid esters) serve as an increasingly general platform for small-molecule construction based on building blocks, largely because of the dramatic and general rate differences with which they are hydrolysed under various basic conditions. Yet the mechanistic underpinnings of these rate differences have remained unclear, which has hindered efforts to address the current limitations of this chemistry. Here we show that there are two distinct mechanisms for this hydrolysis: one is base mediated and the other neutral. The former can proceed more than three orders of magnitude faster than the latter, and involves a rate-limiting attack by a hydroxide at a MIDA carbonyl carbon. The alternative ‘neutral’ hydrolysis does not require an exogenous acid or base and involves rate-limiting B-N bond cleavage by a small water cluster, (H2O)n. The two mechanisms can operate in parallel, and their relative rates are readily quantified by 18O incorporation. Whether hydrolysis is ‘fast’ or ‘slow’ is dictated by the pH, the water activity and the mass-transfer rates between phases. These findings stand to enable, in a rational way, an even more effective and widespread utilization of MIDA boronates in synthesis.

Interaction of Boron Clusters with Oxygen: a DFT Study

NASA Astrophysics Data System (ADS)

Salavitabar, Kamron; Boggavarapu, Kiran; Kandalam, Anil

A controlled combustion involving aluminum nanoparticles has often been the focus of studies in the field of solid fuel propellants. However very little focus has been given to the study of boron nanoparticles in controlled combustion. In contrast to aluminum nanoclusters, boron nanoclusters (Bn) are known to exhibit a planar geometries even at the size of n = 19 - 20, and thus offer a greater surface area for interaction with oxygen. Earlier experimental studies have shown that boron nanoclusters exhibit different reactivity with oxygen depending on their size and charge. In this poster, we present our recent density functional theory based results, focusing on the reactivity patterns of neutral and negatively charged B5 cluster with On, where n = 1 - 5; and B6 cluster with On (n = 1 - 2). The effect of charge on the reactivity of boron cluster, variation in the stability of product clusters, i e., neutral and negatively charged B5On (n = 1 - 5) and B6On (n = 1 - 2) are also examined. Financial Support from West Chester University Foundation under FaStR grant is acknowledged.

Planar-to-Tubular Structural Transition in Boron Clusters: B20 as the Embryo of Single-Walled Boron Nanotubes

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

Boggavarapu, Kiran; Bulusu, Satya; Zhai, Hua JIN.

Experimental and computational simulations revealed that boron clusters, which favor planar (2D) structures up to 18 atoms, prefer three-dimensional (3D) structures beginning at 20 atoms. Using global optimization methods, we found that the B20 neutral cluster has a double-ring tubular structure with a diameter of 5.2 ?. In the B20- anion, the tubular structure is shown to be isoenergetic to 2D structures, which were observed and confirmed by photoelectron spectroscopy. The 2D to 3D structural transition observed at B20, reminiscent to the ring-to-fullerene transition at C20 in carbon clusters, suggests it may be considered as the embryo of the thinnestmore » single-walled boron nanotubes.« less

Boron Clusters Come of Age

ERIC Educational Resources Information Center

Grimes, Russell N.

2004-01-01

Boron is the only element other than carbon that can build molecules of unlimited size by covalently boding to itself, a property known as catenation. In contrast to the chains and rings favored by carbon, boron arguably adopts a cluster motif that is reflected in the various forms of the pure element and in the huge area of polyhedral borane…

Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures

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

Tandy, P.; Yu, Ming; Leahy, C.

2015-03-28

An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemicalmore » bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ∼230 compact boron clusters B{sub N} with N in the range from ∼100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B{sub 12} units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian.« less

Next generation of the self-consistent and environment-dependent Hamiltonian: Applications to various boron allotropes from zero- to three-dimensional structures

NASA Astrophysics Data System (ADS)

Tandy, P.; Yu, Ming; Leahy, C.; Jayanthi, C. S.; Wu, S. Y.

2015-03-01

An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemical bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ˜230 compact boron clusters BN with N in the range from ˜100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B12 units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian.

Indirect photometric detection of boron cluster anions electrophoretically separated in methanol.

PubMed

Vítová, Lada; Fojt, Lukáš; Vespalec, Radim

2014-04-18

3,5-Dinitrobenzoate and picrate are light absorbing anions pertinent to indirect photometric detection of boron cluster anions in buffered methanolic background electrolytes (BGEs). Tris(hydroxymethyl)aminomethane and morpholine have been used as buffering bases, which eliminated baseline steps, and minimized the baseline noise. In methanolic BGEs, mobilities of boron cluster anions depend on both ionic constituents of the BGE buffer. This dependence can be explained by ion pair interaction of detected anions with BGE cations, which are not bonded into ion pairs with the BGE anions. The former ion pair interaction decreases sensitivity of the indirect photometric detection. Copyright © 2014 Elsevier B.V. All rights reserved.

High Boron-loaded DNA-Oligomers as Potential Boron Neutron Capture Therapy and Antisense Oligonucleotide Dual-Action Anticancer Agents.

PubMed

Kaniowski, Damian; Ebenryter-Olbińska, Katarzyna; Sobczak, Milena; Wojtczak, Błażej; Janczak, Sławomir; Leśnikowski, Zbigniew J; Nawrot, Barbara

2017-08-23

Boron cluster-modified therapeutic nucleic acids with improved properties are of interest in gene therapy and in cancer boron neutron capture therapy (BNCT). High metallacarborane-loaded antisense oligonucleotides (ASOs) targeting epidermal growth factor receptor (EGFR) were synthesized through post-synthetic Cu (I)-assisted "click" conjugation of alkyne-modified DNA-oligonucleotides with a boron cluster alkyl azide component. The obtained oligomers exhibited increased lipophilicity compared to their non-modified precursors, while their binding affinity to complementary DNA and RNA strands was slightly decreased. Multiple metallacarborane residues present in the oligonucleotide chain, each containing 18 B-H groups, enabled the use of IR spectroscopy as a convenient analytical method for these oligomers based on the diagnostic B-H signal at 2400-2650 cm -1 . The silencing activity of boron cluster-modified ASOs used at higher concentrations was similar to that of unmodified oligonucleotides. The screened ASOs, when used in low concentrations (up to 50 μM), exhibited pro-oxidative properties by inducing ROS production and an increase in mitochondrial activities in HeLa cells. In contrast, when used at higher concentrations, the ASOs exhibited anti-oxidative properties by lowering ROS species levels. In the HeLa cells (tested in the MTT assay) treated (without lipofectamine) or transfected with the screened compounds, the mitochondrial activity remained equal to the control level or only slightly changed (±30%). These findings may be useful in the design of dual-action boron cluster-modified therapeutic nucleic acids with combined antisense and anti-oxidant properties.

Functionalizing graphene by embedded boron clusters

NASA Astrophysics Data System (ADS)

Quandt, Alexander; Kunstmann, Jens; Ozdogan, Cem; Fehske, Holger

2010-03-01

We present results from an ab initio study of B7 clusters implanted into graphene [1,2]. Our model system consists of an alternating chain of quasiplanar B7 clusters. We show that graphene easily accepts these alternating B7-C6 chains and that the implanted boron components may dramatically modify the electronic properties. This suggests that our model system might serve as a blueprint for the controlled layout of graphene based nanodevices, where the semiconducting properties are supplemented by parts of the graphene matrix itself, and the basic metallic wiring is provided by alternating chains of implanted boron clusters. [1] A. Quandt, C. "Ozdogan, J. Kunstmann, and H. Fehske, Nanotechnology 19, 335707 (2008). [2] A. Quandt, C. "Ozdogan, J. Kunstmann, and H. Fehske, phys. stat. solidi (b) 245, 2077 (2008).

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

Jian, Tian; Lopez, Gary V.; Wang, Lai-Sheng, E-mail: Lai-Sheng-Wang@brown.edu

We report the observation of a manganese-centered tubular boron cluster (MnB{sub 16}{sup −}), which is characterized by photoelectron spectroscopy and ab initio calculations. The relatively simple pattern of the photoelectron spectrum indicates the cluster to be highly symmetric. Ab initio calculations show that MnB{sub 16}{sup −} has a Mn-centered tubular structure with C{sub 4v} symmetry due to first-order Jahn-Teller effect, while neutral MnB{sub 16} reduces to C{sub 2v} symmetry due to second-order Jahn-Teller effect. In MnB{sub 16}{sup −}, two unpaired electrons are observed, one on the Mn 3d{sub z{sup 2}} orbital and another on the B{sub 16} tube, making itmore » an unusual biradical. Strong covalent bonding is found between the Mn 3d orbitals and the B{sub 16} tube, which helps to stabilize the tubular structure. The current result suggests that there may exist a whole class of metal-stabilized tubular boron clusters. These metal-doped boron clusters provide a new bonding modality for transition metals, as well as a new avenue to design boron-based nanomaterials.« less

From coherent quasi-irreversible quantum dynamics towards the second law of thermodynamics: The model boron rotor B13+

NASA Astrophysics Data System (ADS)

Jia, Dongming; Manz, Jörn; Yang, Yonggang

2018-04-01

The planar boron cluster B13+ provides a model to investigate the microscopic origin of the second law of thermodynamics in a small system. It is a molecular rotor with an inner wheel that rotates in an outer bearing. The cyclic reaction path of B13+ passes along thirty equivalent global minimum structures (GMi, i = 1, 2, ..., 30). The GMs are embedded in a cyclic thirty-well potential. They are separated by thirty equivalent transition states with potential barrier Vb. If the boron rotor B13+ is prepared initially in one of the thirty GMs, with energy below Vb, then it tunnels sequentially to its nearest, next-nearest etc. neighbors (520 fs per step) such that all the other GMs get populated. As a consequence, the entropy of occupying the GMs takes about 6 ps to increases from zero to a value close to the maximum value for equi-distribution. Perfect recurrences are practically not observable.

New ligand platforms featuring boron-rich clusters as organomimetic substituents*,**

PubMed Central

Spokoyny, Alexander M.

2013-01-01

200 years of research with carbon-rich molecules have shaped the development of modern chemistry. Research pertaining to the chemistry of boron-rich species has historically trailed behind its more distinguished neighbor (carbon) in the periodic table. Notably, a potentially rich and, in many cases, unmatched field of coordination chemistry using boronrich clusters remains fundamentally underdeveloped. Our work has been devoted to examining several basic concepts related to the functionalization of icosahedral boron-rich clusters and their use as ligands, aimed at designing fundamentally new hybrid molecular motifs and materials. Particularly interesting are icosahedral carboranes, which can be regarded as 3D analogs of benzene. These species comprise a class of boron-rich clusters that were discovered in the 1950s during the “space race” while researchers were developing energetic materials for rocket fuels. Ultimately, the unique chemical and physical properties of carborane species, such as rigidity, indefinite stability to air and moisture, and 3D aromaticity, may allow one to access a set of properties not normally available in carbon-based chemistry. While technically these species are considered as inorganic clusters, the chemical properties they possess make these boron-rich species suitable for replacing and/or altering structural and functional features of the organic and organometallic molecules—a phenomenon best described as “organomimetic”. Aside from purely fundamental features associated with the organomimetic chemistry of icosahedral carboranes, their use can also provide new avenues in the development of systems relevant to solving current problems associated with energy production, storage, and conversion. PMID:24311823

Review: Microstructure Engineering of Titanium Alloys via Small Boron Additions (Preprint)

DTIC Science & Technology

2011-07-01

small amount of boron to γ titanium aluminides (TiAl) has been found to improve room temperature ductility [12]. The principal effect of boron...AFRL-RX-WP-TP-2011-4298 REVIEW: MICROSTRUCTURE ENGINEERING OF TITANIUM ALLOYS VIA SMALL BORON ADDITIONS (Preprint) D.B. Miracle...2011 Journal Article Preprint 01 July 2011 – 01 July 2011 4. TITLE AND SUBTITLE REVIEW: MICROSTRUCTURE ENGINEERING OF TITANIUM ALLOYS VIA SMALL

77 FR 48556 - Applications and Amendments to Facility Operating Licenses and Combined Licenses Involving...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-08-14

... would use a combination of partial credit for soluble boron, Boral\\TM\\ for Region 1, burnup, rod cluster... storage racks or the new fuel handling processes. Operation of the SFP utilizes soluble boron; crediting this boron for criticality control does not change the probability of any accident. The proposed...

Use of boron cluster-containing redox nanoparticles with ROS scavenging ability in boron neutron capture therapy to achieve high therapeutic efficiency and low adverse effects.

PubMed

Gao, Zhenyu; Horiguchi, Yukichi; Nakai, Kei; Matsumura, Akira; Suzuki, Minoru; Ono, Koji; Nagasaki, Yukio

2016-10-01

A boron delivery system with high therapeutic efficiency and low adverse effects is crucial for a successful boron neutron capture therapy (BNCT). In this study, we developed boron cluster-containing redox nanoparticles (BNPs) via polyion complex (PIC) formation, using a newly synthesized poly(ethylene glycol)-polyanion (PEG-polyanion, possessing a (10)B-enriched boron cluster as a side chain of one of its segments) and PEG-polycation (possessing a reactive oxygen species (ROS) scavenger as a side chain of one of its segments). The BNPs exhibited high colloidal stability, selective uptake in tumor cells, specific accumulation, and long retention in tumor tissue and ROS scavenging ability. After thermal neutron irradiation, significant suppression of tumor growth was observed in the BNP-treated group, with only 5-ppm (10)B in tumor tissues, whereas at least 20-ppm (10)B is generally required for low molecular weight (LMW) (10)B agents. In addition, increased leukocyte levels were observed in the LMW (10)B agent-treated group after thermal neutron irradiation, and not in BNP-treated group, which might be attributed to its ROS scavenging ability. No visual metastasis of tumor cells to other organs was observed 1 month after irradiation in the BNP-treated group. These results suggest that BNPs are promising for enhancing the BNCT performance. Copyright © 2016 Elsevier Ltd. All rights reserved.

Immunocytochemistry by electron spectroscopic imaging using well defined boronated monovalent antibody fragments.

PubMed

Kessels, M M; Qualmann, B; Sierralta, W D

1996-01-01

Contributing to the rapidly developing field of immunoelectron microscopy a new kind of markers has been created. The element boron, incorporated as very stable carborane clusters into different kinds of peptides, served as a marker detectable by electron spectroscopic imaging (ESI)--an electron microscopic technique with high-resolution potential. Covalently linked immunoreagents conspicuous by the small size of both antigen recognizing part and marker moiety are accessible by using peptide concepts for label construction and their conjugation with Fab' fragments. Due to a specific labeling of the free thiol groups of the Fab' fragments, the antigen binding capacity was not affected by the attachment of the markers and the resulting immunoprobes exhibited an elongated shape with the antigen combining site and the label located at opposite ends. The labeling densities observed with these reagents were found to be significantly higher than those obtained by using conventional colloidal gold methods. Combined with digital image processing and analysis systems, boron-based ESI proved to be a powerful approach in ultrastructural immunocytochemistry employing pre- and post-embedding methods.

Electron spectroscopic imaging of antigens by reaction with boronated antibodies.

PubMed

Qualmann, B; Kessels, M M; Klobasa, F; Jungblut, P W; Sierralta, W D

1996-07-01

Two small homogeneous markers for electron spectroscopic imaging (ESI) containing eight dodecaborane cages linked to a poly-alpha, epsilon-L-lysine dendrimer were synthesized; one of these was made water soluble by the attachment of a polyether. The markers were coupled to the sulfhydryl group of (monovalent) antibody fragments (Fab') by a homobifunctional cross-linker. While the coupling ratios of the poorly water-soluble compound did not exceed 20%, the polyether-containing variant reacted quantitatively. Its suitability for immunolabelling was tested in a study of the mechanism of the transcellular transport of an administered heterologous protein (bovine serum albumin, BSA) through ileal enterocytes of newborn piglets by endocytotic vesicles in comparison to conventional immunogold reagents. The post-embedding technique was employed. The boronated Fab' gave rise to considerably higher tagging frequencies than seen with immunogold, as could be expected from its form- and size-related physical advantages and the dense packing of BSA in the vesicles. The new probe, carrying the antigen-combining cleft at one end and the boron clusters at the opposite end of the oval-shaped conjugate, add to the potential of ESI-based immunocytochemistry.

A molecular cross-linking approach for hybrid metal oxides

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

Jung, Dahee; Saleh, Liban A. M.; Berkson, Zachariah J.

Developing methods to create hybrid materials to maximize their transformative capabilities has been the subject of significant interest. In particular, several key methods have been developed to manipulate earth abundant metal oxides such as TiO 2 to produce hybrid materials with improved or new properties relevant to a broad spectrum of applications. Here, we introduce a new approach we refer to as “molecular doping”, whereby a hybrid molecular boron oxide material is formed from polyhedral boron cluster precursors of the type [B 12(OH) 12] 2-. This new approach is enabled by the inherent robustness of the boron cluster molecular buildingmore » block, which is compatible with harsh thermal and oxidizing conditions that are necessary for the synthesis of many metal oxides. In this work, we show how this material can be successfully interfaced with TiO 2, resulting in boron-rich hybrid materials with unprecedented photophysical and electrochemical properties.« less

A molecular cross-linking approach for hybrid metal oxides.

PubMed

Jung, Dahee; Saleh, Liban M A; Berkson, Zachariah J; El-Kady, Maher F; Hwang, Jee Youn; Mohamed, Nahla; Wixtrom, Alex I; Titarenko, Ekaterina; Shao, Yanwu; McCarthy, Kassandra; Guo, Jian; Martini, Ignacio B; Kraemer, Stephan; Wegener, Evan C; Saint-Cricq, Philippe; Ruehle, Bastian; Langeslay, Ryan R; Delferro, Massimiliano; Brosmer, Jonathan L; Hendon, Christopher H; Gallagher-Jones, Marcus; Rodriguez, Jose; Chapman, Karena W; Miller, Jeffrey T; Duan, Xiangfeng; Kaner, Richard B; Zink, Jeffrey I; Chmelka, Bradley F; Spokoyny, Alexander M

2018-04-01

There is significant interest in the development of methods to create hybrid materials that transform capabilities, in particular for Earth-abundant metal oxides, such as TiO 2 , to give improved or new properties relevant to a broad spectrum of applications. Here we introduce an approach we refer to as 'molecular cross-linking', whereby a hybrid molecular boron oxide material is formed from polyhedral boron-cluster precursors of the type [B 12 (OH) 12 ] 2- . This new approach is enabled by the inherent robustness of the boron-cluster molecular building block, which is compatible with the harsh thermal and oxidizing conditions that are necessary for the synthesis of many metal oxides. In this work, using a battery of experimental techniques and materials simulation, we show how this material can be interfaced successfully with TiO 2 and other metal oxides to give boron-rich hybrid materials with intriguing photophysical and electrochemical properties.

A molecular cross-linking approach for hybrid metal oxides

NASA Astrophysics Data System (ADS)

Jung, Dahee; Saleh, Liban M. A.; Berkson, Zachariah J.; El-Kady, Maher F.; Hwang, Jee Youn; Mohamed, Nahla; Wixtrom, Alex I.; Titarenko, Ekaterina; Shao, Yanwu; McCarthy, Kassandra; Guo, Jian; Martini, Ignacio B.; Kraemer, Stephan; Wegener, Evan C.; Saint-Cricq, Philippe; Ruehle, Bastian; Langeslay, Ryan R.; Delferro, Massimiliano; Brosmer, Jonathan L.; Hendon, Christopher H.; Gallagher-Jones, Marcus; Rodriguez, Jose; Chapman, Karena W.; Miller, Jeffrey T.; Duan, Xiangfeng; Kaner, Richard B.; Zink, Jeffrey I.; Chmelka, Bradley F.; Spokoyny, Alexander M.

2018-03-01

There is significant interest in the development of methods to create hybrid materials that transform capabilities, in particular for Earth-abundant metal oxides, such as TiO2, to give improved or new properties relevant to a broad spectrum of applications. Here we introduce an approach we refer to as `molecular cross-linking', whereby a hybrid molecular boron oxide material is formed from polyhedral boron-cluster precursors of the type [B12(OH)12]2-. This new approach is enabled by the inherent robustness of the boron-cluster molecular building block, which is compatible with the harsh thermal and oxidizing conditions that are necessary for the synthesis of many metal oxides. In this work, using a battery of experimental techniques and materials simulation, we show how this material can be interfaced successfully with TiO2 and other metal oxides to give boron-rich hybrid materials with intriguing photophysical and electrochemical properties.

Boron Nitride-supported Sub-nanometer Pd 6 Clusters for Formic Acid Decomposition: A DFT Study

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

Schimmenti, Roberto; Cortese, Remedios; Duca, Dario

A periodic, self-consistent planewave DFT study was carried out to explore the potential use of Pd 6 clusters supported on a boron nitride sheet as a catalyst for the selective decomposition of formic acid (HCOOH) to CO 2 and H 2. The competition between formate (HCOO) and carboxyl (COOH) paths on catalytic sites, with different proximities to the support, was studied. Based on energetics alone, the reaction may mainly follow the HCOO route. Slightly lower activation energies were found at the lateral sites of the cluster as compared to top face sites. This is particularly true for the bidentate tomore » monodentate HCOO conversion. Through comparison of results with similar studies on HCOOH decomposition on extended Pd surfaces, it was demonstrated that the existence of undercoordinated sites in the sub-nanometer cluster could play a key role in preferentially stabilizing HCOO over COOH, which is a common CO precursor in this reaction. A hydrogen spillover mechanism was also investigated; migration toward the boron nitride support is not favorable, at least in the early stages of the reaction. However, hydrogen diffusion on the cluster has low barriers compared to those involved in formic acid decomposition.« less

Boron Nitride-supported Sub-nanometer Pd 6 Clusters for Formic Acid Decomposition: A DFT Study

DOE PAGES

Schimmenti, Roberto; Cortese, Remedios; Duca, Dario; ...

2017-04-25

A periodic, self-consistent planewave DFT study was carried out to explore the potential use of Pd 6 clusters supported on a boron nitride sheet as a catalyst for the selective decomposition of formic acid (HCOOH) to CO 2 and H 2. The competition between formate (HCOO) and carboxyl (COOH) paths on catalytic sites, with different proximities to the support, was studied. Based on energetics alone, the reaction may mainly follow the HCOO route. Slightly lower activation energies were found at the lateral sites of the cluster as compared to top face sites. This is particularly true for the bidentate tomore » monodentate HCOO conversion. Through comparison of results with similar studies on HCOOH decomposition on extended Pd surfaces, it was demonstrated that the existence of undercoordinated sites in the sub-nanometer cluster could play a key role in preferentially stabilizing HCOO over COOH, which is a common CO precursor in this reaction. A hydrogen spillover mechanism was also investigated; migration toward the boron nitride support is not favorable, at least in the early stages of the reaction. However, hydrogen diffusion on the cluster has low barriers compared to those involved in formic acid decomposition.« less

Simple, Green, and High-Yield Production of Boron-Based Nanostructures with Diverse Morphologies by Dissolution and Recrystallization of Layered Magnesium Diboride Crystals in Water.

PubMed

Gunda, Harini; Das, Saroj Kumar; Jasuja, Kabeer

2018-04-05

Layered metal diborides that contain metal atoms sandwiched between boron honeycomb planes offer a rich opportunity to access graphenic forms of boron. We recently demonstrated that magnesium diboride (MgB 2 ) could be exfoliated by ultrasonication in water to yield boron-based nanosheets. However, knowledge of the fate of metal boride crystals in aqueous phases is still in its incipient stages. This work presents our preliminary findings on the discovery that MgB 2 crystals can undergo dissolution in water under ambient conditions to result in precursors (prenucleation clusters) that, upon aging, undergo nonclassical crystallization preferentially growing in lateral directions by two-dimensional (2D) oriented attachment. We show that this recrystallization can be utilized as an avenue to obtain a high yield (≈92 %) of boron-based nanostructures, including nanodots, nanograins, nanoflakes, and nanosheets. These nanostructures comprise boron honeycomb planes chemically modified with hydride and oxy functional groups, which results in an overall negative charge on their surfaces. This ability of MgB 2 crystals to yield prenucleation clusters that can self-seed to form nanostructures comprising chemically modified boron honeycomb planes presents a new facet to the physicochemical interaction of MgB 2 with water. These findings also open newer avenues to obtain boron-based nanostructures with tunable morphologies by varying the chemical milieu during recrystallization. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stabilization of fullerene-like boron cages by transition metal encapsulation.

PubMed

Lv, Jian; Wang, Yanchao; Zhang, Lijun; Lin, Haiqing; Zhao, Jijun; Ma, Yanming

2015-06-21

The stabilization of fullerene-like boron (B) cages in the free-standing form has been long sought after and a challenging problem. Studies that have been carried out for more than a decade have confirmed that the planar or quasi-planar polymorphs are energetically favored ground states over a wide range of small and medium-sized B clusters. Recently, the breakthroughs represented by Nat. Chem., 2014, 6, 727 established that the transition from planar/quasi-planar to cage-like Bn clusters occurs around n = ∼38-40, paving the way for understanding the intriguing chemistry of B-fullerene. We herein demonstrate that the transition demarcation, n, can be significantly reduced with the help of transition metal encapsulation. We explore via extensive first-principles swarm-intelligence based structure searches the free energy landscapes of B24 clusters doped by a series of transition metals and find that the low-lying energy regime is generally dominated by cage-like isomers. This is in sharp contrast to that of bare B24 clusters, where the quasi-planar and rather irregular polyhedrons are prevalent. Most strikingly, a highly symmetric B cage with D3h symmetry is discovered in the case of Mo or W encapsulation. The endohedral D3h cages exhibit robust thermodynamic, dynamic and chemical stabilities, which can be rationalized in terms of their unique electronic structure of an 18-electron closed-shell configuration. Our results indicate that transition metal encapsulation is a feasible route for stabilizing medium-sized B cages, offering a useful roadmap for the discovery of more B fullerene analogues as building blocks of nanomaterials.

Effect of functionalization of boron nitride flakes by main group metal clusters on their optoelectronic properties

NASA Astrophysics Data System (ADS)

Chakraborty, Debdutta; Chattaraj, Pratim Kumar

2017-10-01

The possibility of functionalizing boron nitride flakes (BNFs) with some selected main group metal clusters, viz. OLi4, NLi5, CLi6, BLI7 and Al12Be, has been analyzed with the aid of density functional theory (DFT) based computations. Thermochemical as well as energetic considerations suggest that all the metal clusters interact with the BNF moiety in a favorable fashion. As a result of functionalization, the static (first) hyperpolarizability (β ) values of the metal cluster supported BNF moieties increase quite significantly as compared to that in the case of pristine BNF. Time dependent DFT analysis reveals that the metal clusters can lower the transition energies associated with the dominant electronic transitions quite significantly thereby enabling the metal cluster supported BNF moieties to exhibit significant non-linear optical activity. Moreover, the studied systems demonstrate broad band absorption capability spanning the UV-visible as well as infra-red domains. Energy decomposition analysis reveals that the electrostatic interactions principally stabilize the metal cluster supported BNF moieties.

Effect of functionalization of boron nitride flakes by main group metal clusters on their optoelectronic properties.

PubMed

Chakraborty, Debdutta; Chattaraj, Pratim Kumar

2017-10-25

The possibility of functionalizing boron nitride flakes (BNFs) with some selected main group metal clusters, viz. OLi 4 , NLi 5 , CLi 6 , BLI 7 and Al 12 Be, has been analyzed with the aid of density functional theory (DFT) based computations. Thermochemical as well as energetic considerations suggest that all the metal clusters interact with the BNF moiety in a favorable fashion. As a result of functionalization, the static (first) hyperpolarizability ([Formula: see text]) values of the metal cluster supported BNF moieties increase quite significantly as compared to that in the case of pristine BNF. Time dependent DFT analysis reveals that the metal clusters can lower the transition energies associated with the dominant electronic transitions quite significantly thereby enabling the metal cluster supported BNF moieties to exhibit significant non-linear optical activity. Moreover, the studied systems demonstrate broad band absorption capability spanning the UV-visible as well as infra-red domains. Energy decomposition analysis reveals that the electrostatic interactions principally stabilize the metal cluster supported BNF moieties.

The boron conundrum: Bonding in the bowl B30 and B36, fullerene B40 and triple ring B42 clusters

NASA Astrophysics Data System (ADS)

Pham, Hung Tan; Duong, L. V.; Tam, Nguyen Minh; Pham-Ho, M. P.; Nguyen, Minh Tho

2014-07-01

Geometries and bonding of B30, B36, B40 and B42 clusters were studied using quantum chemical computations. The bowl B30 and B36 and planar B42 clusters exhibit disk aromaticity. Diatropic ring current is strong in B30 and weaker in B42. A fullerene-like B40 (D2d) having two hexagons and four heptagons was found as the lowest-lying isomer. Such a fullerene whose MOs closely mimic those of the buckyball B80, represents novel structural feature of boron clusters. The most stable B42 (C2h) isomer is a triple ring tube with consistent σ + π diatropic magnetic responses making it a tubular aromatic species.

Competition between drum and quasi-planar structures in RhB18-: motifs for metallo-boronanotubes and metallo-borophenes.

PubMed

Jian, Tian; Li, Wan-Lu; Chen, Xin; Chen, Teng-Teng; Lopez, Gary V; Li, Jun; Wang, Lai-Sheng

2016-12-01

Metal-doped boron clusters provide new opportunities to design nanoclusters with interesting structures and bonding. A cobalt-doped boron cluster, CoB 18 - , has been observed recently to be planar and can be viewed as a motif for metallo-borophenes, whereas the D 9d drum isomer as a motif for metallo-boronanotubes is found to be much higher in energy. Hence, whether larger doped boron drums are possible is still an open question. Here we report that for RhB 18 - the drum and quasi-planar structures become much closer in energy and co-exist experimentally, revealing a competition between the metallo-boronanotube and metallo-borophene structures. Photoelectron spectroscopy of RhB 18 - shows a complicated spectral pattern, suggesting the presence of two isomers. Quantum chemistry studies indicate that the D 9d drum isomer and a quasi-planar isomer ( C s ) compete for the global minimum. The enhanced stability of the drum isomer in RhB 18 - is due to the less contracted Rh 4d orbitals, which can have favorable interactions with the B 18 drum motif. Chemical bonding analyses show that the quasi-planar isomer of RhB 18 - is aromatic with 10 π electrons, whereas the observed RhB 18 - drum cluster sets a new record for coordination number of eighteen among metal complexes. The current finding shows that the size of the boron drum can be tuned by appropriate metal dopants, suggesting that even larger boron drums with 5d, 6d transition metal, lanthanide or actinide metal atoms are possible.

Computational quest for spherical C12B68 fullerenes with "magic" π-electrons and quasi-planar tetra-coordinated carbon.

PubMed

Li, Fengyu; Jiang, De-en; Chen, Zhongfang

2014-02-01

Inspired by the exciting properties of B80 clusters and the novel chemical bonding of planar tetra-coordinated carbon (ptC), we computationally investigated C12B68 clusters by substituting 12 boron atoms to 12 carbon in the B80 framework. Three types of C12B68 configurations, namely core-shell, boron-trapped and fullerene-like, were examined. The fullerene-like C12B68 clusters are featured with multiple quasi-planar tetra-coordinated carbon moieties; though with "magic" (72) number of electrons, they are not highly aromatic due to the limitations of Hirsch's rule for clusters with more than 50 π electrons. These C12B68 fullerenes are not global minima, but the appreciable HOMO-LUMO gaps, spherical aromaticity, and the thermal stability indicate their reasonable stabilities.

Hydrogen adsorption capacities of multi-walled boron nitride nanotubes and nanotube arrays: a grand canonical Monte Carlo study.

PubMed

Ahadi, Zohreh; Shadman, Muhammad; Yeganegi, Saeed; Asgari, Farid

2012-07-01

Hydrogen adsorption in multi-walled boron nitride nanotubes and their arrays was studied using grand canonical Monte Carlo simulation. The results show that hydrogen storage increases with tube diameter and the distance between the tubes in multi-walled boron nitride nanotube arrays. Also, triple-walled boron nitride nanotubes present the lowest level of hydrogen physisorption, double-walled boron nitride nanotubes adsorb hydrogen better when the diameter of the inner tube diameter is sufficiently large, and single-walled boron nitride nanotubes adsorb hydrogen well when the tube diameter is small enough. Boron nitride nanotube arrays adsorb hydrogen, but the percentage of adsorbed hydrogen (by weight) in boron nitride nanotube arrays is rather similar to that found in multi-walled boron nitride nanotubes. Also, when the Langmuir and Langmuir-Freundlich equations were fitted to the simulated data, it was found that multi-layer adsorptivity occurs more prominently as the number of walls and the tube diameter increase. However, in single-walled boron nitride nanotubes with a small diameter, the dominant mechanism is monolayer adsorptivity.

Half-metallic ferromagnetism in substitutionally doped boronitrene

NASA Astrophysics Data System (ADS)

Ukpong, A. M.; Chetty, N.

2012-11-01

We perform first-principles molecular dynamics simulations to investigate the magnetoelectronic response of substitutionally doped boronitrene to thermal excitation. We show that the local geometry, size, and edge termination of the substitutional complexes of boron, carbon, or nitrogen determine the thermodynamic stability of the monolayer. We find that hexagonal boron or triangular carbon clusters induce finite magnetic moments with 100% spin-polarized Fermi-level electrons in boronitrene. In such carbon substitutions, the spontaneous magnetic moment increases with the size of the embedded carbon cluster, and results in half-metallic ferrimagnetism above 750 K with a corresponding Curie point of 1250 K, above which the magnetization density vanishes. We predict an ultrahigh temperature half-metallic ferromagnetic phase in impurity-free boronitrene, when any three nearest-neighbor nitrogen atoms are substituted with boron, with unquenched magnetic moment up to its melting point.

Fluid synthesis and structure of a new polymorphic modification of boron nitride

NASA Astrophysics Data System (ADS)

Pokropivny, V. V.; Smolyar, A. S.; Ovsiannikova, L. I.; Pokropivny, A. V.; Kuts, V. A.; Lyashenko, V. I.; Nesterenko, Yu. V.

2013-04-01

A new previously unknown phase of boron nitride with a hardness of 0.41-0.63 GPa has been pre-pared by the supercritical fluid synthesis. The presence of a new phase is confirmed by the X-ray spectra and IR absorption spectra, where new reflections and bands are distinguished. The fundamental reflection of the X-ray diffraction pattern is d = 0.286-0.291 nm, and the characteristic band in the infrared absorption spectrum is observed at 704 cm-1. The X-ray diffraction pattern and the experimental and theoretical infrared absorption spectra show that a new synthesized boron nitride phase can be a cluster crystal (space group 211) with a simple cubic lattice. Cage clusters of a fullerene-like morphology B24N24 with point symmetry O are arranged in lattice sites.

Organomimetic clusters: Precision in 3D

NASA Astrophysics Data System (ADS)

Majewski, Marek B.; Howarth, Ashlee J.; Farha, Omar K.

2017-04-01

Biomimetic molecules that can be easily tailored offer numerous opportunities. Now, boron-based clusters have been shown to be excellent biomimetics. The ease with which the cluster surfaces can be modified stands to change how chemists might go about preparing materials for imaging, drug delivery and other applications.

Template growth of Au, Ni and Ni–Au nanoclusters on hexagonal boron nitride/Rh(111): a combined STM, TPD and AES study

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

Wu, Fanglue; Huang, Dali; Yue, Yuan

In this study, the template growth of Au, Ni, and Ni–Au bimetallic nanoclusters on hexagonal boron nitride/Rh(111), i.e. h-BN/Rh(111), was investigated via scanning tunneling microscopy (STM), temperature programmed-desorption (TPD), and Auger electron spectroscopy (AES). STM study shows that template growth of Au clusters on h-BN/Rh(111) forms mainly well-dispersed monolayer clusters. In contrast, Ni forms large multilayer clusters showing a relatively high diffusivity on h-BN/Rh(111) substrate. Ni–Au bimetallic clusters are effectively formed first by Au deposition followed by Ni deposition, with the Au clusters functioning as nucleation sites for the subsequently deposited Ni. Further structural analysis was carried out via TPDmore » and AES. The resulting TPD and AES data show the surface composition and charge transfer between Au and Ni of the bimetallic clusters. These results suggest that the h-BN/Rh(111) substrate represents a unique candidate for supporting Ni–Au bimetallic clusters in further catalytic reactions.« less

Template growth of Au, Ni and Ni–Au nanoclusters on hexagonal boron nitride/Rh(111): a combined STM, TPD and AES study

DOE PAGES

Wu, Fanglue; Huang, Dali; Yue, Yuan; ...

2017-09-12

In this study, the template growth of Au, Ni, and Ni–Au bimetallic nanoclusters on hexagonal boron nitride/Rh(111), i.e. h-BN/Rh(111), was investigated via scanning tunneling microscopy (STM), temperature programmed-desorption (TPD), and Auger electron spectroscopy (AES). STM study shows that template growth of Au clusters on h-BN/Rh(111) forms mainly well-dispersed monolayer clusters. In contrast, Ni forms large multilayer clusters showing a relatively high diffusivity on h-BN/Rh(111) substrate. Ni–Au bimetallic clusters are effectively formed first by Au deposition followed by Ni deposition, with the Au clusters functioning as nucleation sites for the subsequently deposited Ni. Further structural analysis was carried out via TPDmore » and AES. The resulting TPD and AES data show the surface composition and charge transfer between Au and Ni of the bimetallic clusters. These results suggest that the h-BN/Rh(111) substrate represents a unique candidate for supporting Ni–Au bimetallic clusters in further catalytic reactions.« less

Ionic High-Pressure Form of Elemental Boron

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

Oganov, A.; Chen, J; Gatti, C

2009-01-01

This Letter presents the results of high-pressure experiments and ab initio evolutionary crystal structure predictions, and found a new boron phase that we named gamma-B28. This phase is comprised of icosahedral B12 clusters and B2 pairs in a NaCl-type arrangement, stable between 19 and 89 GPa, and exhibits evidence for charge transfer (for which our best estimate is delta approximately 0.48) between the constituent clusters to give (B2)delta+(B12)delta-. We have recently found that the same high-pressure boron phase may have given rise to the Bragg reflections reported by Wentorf in 1965 (ref. 1), although the chemical composition was not analysedmore » and the data (subsequently deleted from the Powder Diffraction File database) seems to not have been used to propose a structure model. We also note that although we used the terms 'partially ionic' and 'ionic' to emphasize the polar nature of the high-pressure boron phase and the influence this polarity has on several physical properties of the elemental phase, the chemical bonding in gamma-B28 is predominantly covalent.« less

STELLAR BORON ABUNDANCES NEAR THE MAIN-SEQUENCE TURNOFF OF THE OPEN CLUSTER NGC 3293 AND IMPLICATIONS FOR THE EFFICIENCY OF ROTATIONALLY DRIVEN MIXING IN STELLAR ENVELOPES

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

Proffitt, Charles R.; Lennon, Daniel J.; Langer, Norbert

2016-06-10

Spectra from the Hubble Space Telescope Cosmic Origins Spectrograph and the Space Telescope Imaging Spectrograph covering the B iii resonance line have been obtained for 10 early-B stars near the turnoff of the young Galactic open cluster NGC 3293. This is the first sample of boron abundance determinations in a single, clearly defined population of early-B stars that also covers a substantial range of projected rotational velocities. In most of these stars we detect partial depletion of boron at a level consistent with that expected for rotational mixing in single stars, but inconsistent with expectations for depletion from close binarymore » evolution. However, our results do suggest that the efficiency of rotational mixing is at or slightly below the low end of the range predicted by the available theoretical calculations. The two most luminous targets observed have a very large boron depletion and may be the products of either binary interactions or post-main-sequence evolution.« less

Stabilization of fullerene-like boron cages by transition metal encapsulation

NASA Astrophysics Data System (ADS)

Lv, Jian; Wang, Yanchao; Zhang, Lijun; Lin, Haiqing; Zhao, Jijun; Ma, Yanming

2015-06-01

The stabilization of fullerene-like boron (B) cages in the free-standing form has been long sought after and a challenging problem. Studies that have been carried out for more than a decade have confirmed that the planar or quasi-planar polymorphs are energetically favored ground states over a wide range of small and medium-sized B clusters. Recently, the breakthroughs represented by Nat. Chem., 2014, 6, 727 established that the transition from planar/quasi-planar to cage-like Bn clusters occurs around n = ~38-40, paving the way for understanding the intriguing chemistry of B-fullerene. We herein demonstrate that the transition demarcation, n, can be significantly reduced with the help of transition metal encapsulation. We explore via extensive first-principles swarm-intelligence based structure searches the free energy landscapes of B24 clusters doped by a series of transition metals and find that the low-lying energy regime is generally dominated by cage-like isomers. This is in sharp contrast to that of bare B24 clusters, where the quasi-planar and rather irregular polyhedrons are prevalent. Most strikingly, a highly symmetric B cage with D3h symmetry is discovered in the case of Mo or W encapsulation. The endohedral D3h cages exhibit robust thermodynamic, dynamic and chemical stabilities, which can be rationalized in terms of their unique electronic structure of an 18-electron closed-shell configuration. Our results indicate that transition metal encapsulation is a feasible route for stabilizing medium-sized B cages, offering a useful roadmap for the discovery of more B fullerene analogues as building blocks of nanomaterials.The stabilization of fullerene-like boron (B) cages in the free-standing form has been long sought after and a challenging problem. Studies that have been carried out for more than a decade have confirmed that the planar or quasi-planar polymorphs are energetically favored ground states over a wide range of small and medium-sized B clusters. Recently, the breakthroughs represented by Nat. Chem., 2014, 6, 727 established that the transition from planar/quasi-planar to cage-like Bn clusters occurs around n = ~38-40, paving the way for understanding the intriguing chemistry of B-fullerene. We herein demonstrate that the transition demarcation, n, can be significantly reduced with the help of transition metal encapsulation. We explore via extensive first-principles swarm-intelligence based structure searches the free energy landscapes of B24 clusters doped by a series of transition metals and find that the low-lying energy regime is generally dominated by cage-like isomers. This is in sharp contrast to that of bare B24 clusters, where the quasi-planar and rather irregular polyhedrons are prevalent. Most strikingly, a highly symmetric B cage with D3h symmetry is discovered in the case of Mo or W encapsulation. The endohedral D3h cages exhibit robust thermodynamic, dynamic and chemical stabilities, which can be rationalized in terms of their unique electronic structure of an 18-electron closed-shell configuration. Our results indicate that transition metal encapsulation is a feasible route for stabilizing medium-sized B cages, offering a useful roadmap for the discovery of more B fullerene analogues as building blocks of nanomaterials. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01659b

75 FR 21241 - Certain Cut-to-Length Carbon Steel Plate from the People's Republic of China: Initiation of...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-23

... steel plate from PRC producers containing small amounts of boron resulting in the classification of the... Iron and Steel Co., Ltd. and/ or imported by Toyota Tsusho America with small amounts of boron added... to add insignificant amounts of boron to their steel products for the purpose of securing a higher...

Aromatic Borozene

PubMed Central

2009-01-01

Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B12H6. This molecule, which we refer to as borozene, has remarkably similar properties to the well-known benzene. Borozene is planar, possesses a large first excitation energy, D3hsymmetry, and more importantly is aromatic. Furthermore, the calculated anisotropy of the magnetic susceptibility of borozene is three times larger in absolute value than for benzene. Finally, we show that borozene molecules may be fused together to give larger aromatic compounds with even larger anisotropic susceptibilities. PMID:20596438

Boron- and salt-tolerant trees and shrubs for northern Nevada

Treesearch

Heidi Kratsch

2012-01-01

Boron is a mineral that, in small quantities, is essential for plant growth and development , but becomes toxic at levels above 0.5 to 1 part per million (ppm) in the soil. Excess boron may be naturally present in the soil, and it can accumulate by irrigating with water high in boron. Boron occurs naturally in arid soils originating from geologically young deposits. It...

Defect charge states in Si doped hexagonal boron-nitride monolayer

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Molepo, M. P.; Andrew, R. C.; Chetty, N.

2016-02-01

We perform ab initio density functional theory calculations to investigate the energetics, electronic and magnetic properties of isolated stoichiometric and non-stoichiometric substitutional Si complexes in a hexagonal boron-nitride monolayer. The Si impurity atoms substituting the boron atom sites SiB giving non-stoichiometric complexes are found to be the most energetically favourable, and are half-metallic and order ferromagnetically in the neutral charge state. We find that the magnetic moments and magnetization energies increase monotonically when Si defects form a cluster. Partial density of states and standard Mulliken population analysis indicate that the half-metallic character and magnetic moments mainly arise from the Si 3p impurity states. The stoichiometric Si complexes are energetically unfavorable and non-magnetic. When charging the energetically favourable non-stoichiometric Si complexes, we find that the formation energies strongly depend on the impurity charge states and Fermi level position. We also find that the magnetic moments and orderings are tunable by charge state modulation q  =  -2, -1, 0, +1, +2. The induced half-metallic character is lost (retained) when charging isolated (clustered) Si defect(s). This underlines the potential of a Si doped hexagonal boron-nitride monolayer for novel spin-based applications.

A combined photoelectron spectroscopy and ab initio study of the quasi-planar B24(-) cluster.

PubMed

Popov, Ivan A; Piazza, Zachary A; Li, Wei-Li; Wang, Lai-Sheng; Boldyrev, Alexander I

2013-10-14

The structure and chemical bonding of the 24-atom boron cluster are investigated using photoelectron spectroscopy and ab initio calculations. The joint experimental and theoretical investigation shows that B24(-) possesses a quasi-planar structure containing fifteen outer and nine inner atoms with six of the inner atoms forming a filled pentagonal moiety. The central atom of the pentagonal moiety is puckered out of plane by 0.9 Å, reminiscent of the six-atom pentagonal caps of the well-known B12 icosahedral unit. The next closest isomer at the ROCCSD(T) level of theory has a tubular double-ring structure. Comparison of the simulated spectra with the experimental data shows that the global minimum quasi-planar B24(-) isomer is the major contributor to the observed photoelectron spectrum, while the tubular isomer has no contribution to the experiment. Chemical bonding analyses reveal that the periphery of the quasi-planar B24 constitutes 15 classical 2c-2e B-B σ-bonds, whereas delocalized σ- and π-bonds are found in the interior of the cluster with one unique 6c-2e π-bond responsible for bonding in the B-centered pentagon. The current work suggests that the 24-atom boron cluster continues to be quasi-2D, albeit the tendency to form filled pentagonal units, characteristic of 3D cage-like structures of bulk boron, is observed.

Dissolution and Characterization of Boron Nitride Nanotubes in Superacid.

PubMed

Kleinerman, Olga; Adnan, Mohammed; Marincel, Daniel M; Ma, Anson W K; Bengio, E Amram; Park, Cheol; Chu, Sang-Hyon; Pasquali, Matteo; Talmon, Yeshayahu

2017-12-19

Boron nitride nanotubes (BNNTs) are of interest for their unique combination of high tensile strength, high electrical resistivity, high neutron cross section, and low reactivity. The fastest route to employing these properties in composites and macroscopic articles is through solution processing. However, dispersing BNNTs without functionalization or use of a surfactant is challenging. We show here by cryogenic transmission electron microscopy that BNNTs spontaneously dissolve in chlorosulfonic acid as disentangled individual molecules. Electron energy loss spectroscopy of BNNTs dried from the solution confirms preservation of the sp 2 hybridization for boron and nitrogen, eliminating the possibility of BNNT functionalization or damage. The length and diameter of the BNNTs was statistically calculated to be ∼4.5 μm and ∼4 nm, respectively. Interestingly, bent or otherwise damaged BNNTs are filled by chlorosulfonic acid. Additionally, nanometer-sized synthesis byproducts, including boron nitride clusters, isolated single and multilayer hexagonal boron nitride, and boron particles, were identified. Dissolution in superacid provides a route for solution processing BNNTs without altering their chemical structure.

Modeling the suppression of boron transient enhanced diffusion in silicon by substitutional carbon incorporation

NASA Astrophysics Data System (ADS)

Ngau, Julie L.; Griffin, Peter B.; Plummer, James D.

2001-08-01

Recent work has indicated that the suppression of boron transient enhanced diffusion (TED) in carbon-rich Si is caused by nonequilibrium Si point defect concentrations, specifically the undersaturation of Si self-interstitials, that result from the coupled out-diffusion of carbon interstitials via the kick-out and Frank-Turnbull reactions. This study of boron TED reduction in Si1-x-yGexCy during 750 °C inert anneals has revealed that the use of an additional reaction that further reduces the Si self-interstitial concentration is necessary to describe accurately the time evolved diffusion behavior of boron. In this article, we present a comprehensive model which includes {311} defects, boron-interstitial clusters, a carbon kick-out reaction, a carbon Frank-Turnbull reaction, and a carbon interstitial-carbon substitutional (CiCs) pairing reaction that successfully simulates carbon suppression of boron TED at 750 °C for anneal times ranging from 10 s to 60 min.

Depth resolved investigations of boron implanted silicon

NASA Astrophysics Data System (ADS)

Sztucki, M.; Metzger, T. H.; Milita, S.; Berberich, F.; Schell, N.; Rouvière, J. L.; Patel, J.

2003-01-01

We have studied the depth distribution and structure of defects in boron implanted silicon (0 0 1). Silicon wafers were implanted with a boron dose of 6×10 15 ions/cm -2 at 32 keV and went through different annealing treatments. Using diffuse X-ray scattering at grazing incidence and exit angles we are able to distinguish between different kinds of defects (point defect clusters and extrinsic stacking faults on {1 1 1} planes) and to determine their depth distribution as a function of the thermal budget. Cross-section transmission electron microscopy was used to gain complementary information. In addition we have determined the strain distribution caused by the boron implantation as a function of depth from rocking curve measurements.

Low rank factorization of the Coulomb integrals for periodic coupled cluster theory.

PubMed

Hummel, Felix; Tsatsoulis, Theodoros; Grüneis, Andreas

2017-03-28

We study a tensor hypercontraction decomposition of the Coulomb integrals of periodic systems where the integrals are factorized into a contraction of six matrices of which only two are distinct. We find that the Coulomb integrals can be well approximated in this form already with small matrices compared to the number of real space grid points. The cost of computing the matrices scales as O(N 4 ) using a regularized form of the alternating least squares algorithm. The studied factorization of the Coulomb integrals can be exploited to reduce the scaling of the computational cost of expensive tensor contractions appearing in the amplitude equations of coupled cluster methods with respect to system size. We apply the developed methodologies to calculate the adsorption energy of a single water molecule on a hexagonal boron nitride monolayer in a plane wave basis set and periodic boundary conditions.

Effect of Boron Clusters on the Ignition Reaction of HNO3 and Dicynanamide-Based Ionic Liquids.

PubMed

Schmidt, Michael W; Gordon, Mark S

2017-10-19

Many ionic liquids containing the dicynamide anion (DCA - , formula N(CN) 2 - ) exhibit hypergolic ignition when exposed to the common oxidizer nitric acid. However, the ignition delay is often about 10 times longer than the desired 5 ms for rocket applications, so that improvements are desired. Experiments in the past decade have suggested both a mechanism for the early reaction steps and also that additives such as decaborane can reduce the ignition delay. The mechanisms for reactions of nitric acid with both DCA - and protonated DCAH are considered here, using accurate wave function methods. Complexation of DCA - or DCAH with borane clusters B 10 H 14 or B 9 H 14 - is found to modify these mechanisms slightly by changing the nature of some of the intermediate saddle points and by small reductions in the reaction barriers.

Investigation on the neutral and anionic BxAlyH2 (x + y = 7, 8, 9) clusters using density functional theory combined with photoelectron spectroscopy.

PubMed

Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Ding, Lei; Yuan, Tao Li

2016-08-17

The structure and bonding nature of neutral and negatively charged BxAlyH2 (x + y = 7, 8, 9) clusters are investigated with the aid of previously published experimental photoelectron spectra combined with the present density functional theory calculations. The comparison between the experimental photoelectron spectra and theoretical simulated spectra helps to identify the ground state structures. The accuracy of the obtained ground state structures is further verified by calculating their adiabatic electron affinities and vertical detachment energies and comparing them against available experimental data. The results show that the structures of BxAlyH2 transform from three-dimensional to planar structures as the number of boron atoms increases. Moreover, boron atoms tend to bind together forming Bn units. The hydrogen atoms prefer to bind with boron atoms rather than aluminum atoms. The analyses of the molecular orbital on the ground state structures further support the abovementioned results.

Intramolecular B-B Linkage Between Polyhedral Cages in a Commo-Metallacarborane. Synthesis and Structure of a Fluxional Metal-Boron Cluster, (n(5)-C5(CH3)5)2Co3(CH3)4C4B8H7.

DTIC Science & Technology

1980-11-01

FINSTER , E SINN, R N GRIMES N0001475--0305 UNCLASSIFIED TR-35 NL’ minimnmlhnnnhu ,IIIIIIIIIIIIIl hEIIIIIIIIEIII EEEEEEEEEEEL 1.8 MICROCOPY’ RESOLUTION...David C./ Finster Ekk/inn Russell . Grimes Department of Chemistry ",00t University ofLyirginla ’ Charlottesville, Va. 22901 Prepared for Publication In...a Commo-Metallacarborane. Synthesis and Structure of a Fluxi:. Metal-Boron Cluster, [n5C 5 (CCB3)512HCo3(C13)4C4B8H7 David C. Finster , Ekk Sinn, and

Thermodynamic consideration and ground-state search of icosahedral boron subselenide B12(B1-xSex) 2 from a first-principles cluster expansion

NASA Astrophysics Data System (ADS)

Ektarawong, A.

2018-05-01

The phase stability of icosahedral boron subselenide B12(B1-xSex) 2 , where 0.5 ≤x ≤1 , is explored using a first-principles cluster expansion. The results shows that, instead of a continuous solid solution, B12(B1-xSex) 2 is thermodynamically stable as an individual line compound at the composition of B9.5Se . The ground-state configuration of B9.5Se is represented by a mixture of B12(Se-Se), B12(B-Se), and B12(Se-B) with a ratio of 1:1:1, where they form a periodic A B C A B C ⋯ stacking sequence of B12(Se-Se), B12(B-Se), and B12(Se-B) layers along the c axis of the hexagonal conventional unit cell. The structural and electronic properties of the ground-state B9.5Se are also derived and discussed. By comparing the derived ground-state properties of B9.5Se to the existing experimental data of boron subselenide B˜13Se , I proposed that the as-synthesized boron subselenide B˜13Se , as reported in the literature, has the actual composition of B9.5Se .

B11-: a moving subnanoscale tank tread

NASA Astrophysics Data System (ADS)

Wang, Ying-Jin; Zhao, Xiao-Yun; Chen, Qiang; Zhai, Hua-Jin; Li, Si-Dian

2015-09-01

We present a concept that an elongated, planar boron cluster can serve as a ``tank tread'' at the sub-nanometer scale, a novel propulsion system for potential nanomachines. Density functional calculations at the PBE0/6-311+G* level for the global-minimum B11-C2v (1A1) and B11C2v (2B2) structures along the soft in-plane rotational mode allow the identification of their corresponding B11-C2v and B11C2v transition states, with small rotational energy barriers of 0.42 and 0.55 kcal mol-1, respectively. The energy barriers are refined to 0.35 and 0.60 kcal mol-1 at the single-point CCSD(T) level, suggesting that the clusters are structurally fluxional at room temperature. Molecular dynamics simulations show that B11- and B11 behave exactly like a tank tread, in which the peripheral B9 ring rotates almost freely around the B2 core. A full turn of rotation may be accomplished in around 2 ps. In contrast to molecular wheels or Wankel motors, the peripheral boron atoms in the tank tread behave as a flexible chain gliding around, rather than as a rigid wheel rotation. This finding is beyond imagination, which expands the concepts of molecular wheels and Wankel motors.We present a concept that an elongated, planar boron cluster can serve as a ``tank tread'' at the sub-nanometer scale, a novel propulsion system for potential nanomachines. Density functional calculations at the PBE0/6-311+G* level for the global-minimum B11-C2v (1A1) and B11C2v (2B2) structures along the soft in-plane rotational mode allow the identification of their corresponding B11-C2v and B11C2v transition states, with small rotational energy barriers of 0.42 and 0.55 kcal mol-1, respectively. The energy barriers are refined to 0.35 and 0.60 kcal mol-1 at the single-point CCSD(T) level, suggesting that the clusters are structurally fluxional at room temperature. Molecular dynamics simulations show that B11- and B11 behave exactly like a tank tread, in which the peripheral B9 ring rotates almost freely around the B2 core. A full turn of rotation may be accomplished in around 2 ps. In contrast to molecular wheels or Wankel motors, the peripheral boron atoms in the tank tread behave as a flexible chain gliding around, rather than as a rigid wheel rotation. This finding is beyond imagination, which expands the concepts of molecular wheels and Wankel motors. Electronic supplementary information (ESI) available: A short movie extracted from the molecular dynamics (MD) simulation for B11- optimized structures of the C2v (1A1) global minimum (GM) and C2v (1A1) transition state (TS) of B11- and those of their corresponding B11 neutral clusters at the PBE0/6-311+G* level; the total electron localization function (ELF) of the GM of B11-C2v (1A1); chemical bonding in the C2v TS of B11- as revealed from the ELF and adaptive natural density partitioning (AdNDP) analyses; the structural evolution of B11 during the peripheral rotation; and the Cartesian coordinates for the GM structures of B11-C2v (1A1), B11C2v (2B2), and their C2v TS states at the PBE0/6-311+G* level. See DOI: 10.1039/c5nr03732h

Boron-containing chlorins and tetraazaporphyrins: synthesis and cell uptake of boronated pyropheophorbide a derivatives.

PubMed

Ratajski, Michal; Osterloh, Jens; Gabel, Detlef

2006-03-01

The literature on the synthesis and the biological properties of boron-containing chlorins and phthalocyanines is reviewed. A series of homologous derivatives of pyropheophorbide A is described. The compounds contain the B(12)H(11)SH(2-) cluster attached to the single carboxyl group and vary in the length of the alkyl chain (methyl, propyl, pentyl, heptyl and nonyl) attached via an ether linkage to the former vinyl group. Cellular uptake was found for all derivatives except the nonyl sidechain. The compounds were moderately cell-toxic. Localization in lysosomes could be excluded; the compounds localized probably in the mitochondria.

Thermochemistry and electronic structure of small boron clusters (B(n), n = 5-13) and their anions.

PubMed

Truong, Ba Tai; Grant, Daniel J; Nguyen, Minh Tho; Dixon, David A

2010-01-21

Thermochemical parameters of a set of small-sized neutral (B(n)) and anionic (B(n)(-)) boron clusters, with n = 5-13, were determined using coupled-cluster theory CCSD(T) calculations with the aug-cc-pVnZ (n = D, T, and Q) basis sets extrapolated to the complete basis set limit (CBS) plus addition corrections and/or G3B3 calculations. Enthalpies of formation, adiabatic electron affinities (EA), vertical (VDE), and adiabatic (ADE) detachment energies were evaluated. Our calculated EAs are in good agreement with recent experiments (values in eV): B(5) (CBS, 2.29; G3B3, 2.48; exptl., 2.33 +/- 0.02), B(6) (CBS, 2.59; G3B3, 3.23; exptl., 3.01 +/- 0.04), B(7) (CBS, 2.62; G3B3, 2.67; exptl., 2.55 +/- 0.05), B(8) (CBS, 3.02; G3B3, 3.11; exptl., 3.02 +/- 0.02), B(9) (G3B3, 3.03; exptl., 3.39 +/- 0.06), B(10) (G3B3, 2.85; exptl., 2.88 +/- 0.09), B(11) (G3B4, 3.48;, exptl., 3.43 +/- 0.01), B(12) (G3B3, 2.33; exptl., 2.21 +/- 0.04), and B(13) (G3B3, 3.62; exptl., 3.78 +/- 0.02). The difference between the calculated adiabatic electron affinity and the adiabatic detachment energy for B(6) is due to the fact that the geometry of the anion is not that of the ground-state neutral. The calculated adiabatic detachment energies to the (3)A(u), C(2h) and (1)A(g), D(2h) excited states of B(6), which have geometries similar to the (1)A(g), D(2h) state of B(6)(-), are 2.93 and 3.06 eV, in excellent agreement with experiment. The VDEs were also well reproduced by the calculations. Partitioning of the electron localization functions into pi and sigma components allows probing of the partial and local delocalization in global nonaromatic systems. The larger clusters appear to exhibit multiple aromaticity. The binding energies per atom vary in a parallel manner for both neutral and anionic series and approach the experimental value for the heat of atomization of B. The resonance energies and the normalized resonance energies are convenient indices to quantify the stabilization of a cluster of elements.

Boron enhances strength and alters mineral composition of bone in rabbits fed a high energy diet.

PubMed

Hakki, Sema S; Dundar, Niyazi; Kayis, Seyit Ali; Hakki, Erdogan E; Hamurcu, Mehmet; Kerimoglu, Ulku; Baspinar, Nuri; Basoglu, Abdullah; Nielsen, Forrest H

2013-04-01

An experiment was performed to determine whether boron had a beneficial effect on bone strength and composition in rabbits with apparent adiposity induced by a high energy diet. Sixty female New Zealand rabbits, aged 8 months, were randomly divided into five groups with the following treatments for seven months: control 1, fed alfalfa hay only (5.91 MJ/kg); control 2, high energy diet (11.76 MJ and 3.88 mg boron/kg); B10, high energy diet+10 mg/kg body weight boron gavage/96 h; B30, high energy diet+30 mg/kg body weight boron gavage/96 h; B50, high energy diet+50mg/kg body weight boron gavage/96 h. Bone boron concentrations were lowest in rabbits fed the high energy diet without boron supplementation, which suggested an inferior boron status. Femur maximum breaking force was highest in the B50 rabbits. Tibia compression strength was highest in B30 and B50 rabbits. All boron treatments significantly increased calcium and magnesium concentrations, and the B30 and B50 treatments increased the phosphorus concentration in tibia of rabbits fed the high energy diet. The B30 treatment significantly increased calcium, phosphorus and magnesium concentrations in femur of rabbits fed the high energy diet. Principal component analysis of the tibia minerals showed that the three boron treatments formed a separate cluster from controls. Discriminant analysis suggested that the concentrations of the minerals in femur could predict boron treatment. The findings indicate boron has beneficial effects on bone strength and mineral composition in rabbits fed a high energy diet. Copyright © 2012 Elsevier GmbH. All rights reserved.

Boron-Based Nanostructures, Stability, Functionality and Synthetic Routes

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

Yakobson, Boris I.; Ajayan, Pulickel M.

Boron (B) is one of the most intriguing elements not only because of its position between metals and nonmetals in periodic table but also because of its ability to form an enormous number of allotropes. Apart from several bulk three-dimensional (3D) phases, boron can form 0D clusters, 1D nanotubes and nanowires, and 2D layers. In particular, boron sheets of monoatomic thickness have raised interest as a potential new 2D-material and as a (conceptual) precursor, for example, so-called α-sheets, from which other boron structures - fullerene cages and tubes - might be constructed. In fact, a number of planar B clustersmore » up to tens of atoms, found in experiments, appear as seeds for extended sheets. In this project we developed theoretical methods to guide synthesis, have successfully identified the material substrates (Ag, Au, Cu) to producing the pure boron layers, and further even predicted what atomistic structures should be expected. These guidelines have successfully led to discoveries in several labs and now have grown into an active line of research worldwide.« less

Competition between quasi-planar and cage-like structures in the B29- cluster: photoelectron spectroscopy and ab initio calculations.

PubMed

Li, Hai-Ru; Jian, Tian; Li, Wei-Li; Miao, Chang-Qing; Wang, Ying-Jin; Chen, Qiang; Luo, Xue-Mei; Wang, Kang; Zhai, Hua-Jin; Li, Si-Dian; Wang, Lai-Sheng

2016-10-26

Size-selected boron clusters have been found to be predominantly planar or quasi-planar (2D) in the small size regime with the appearance of three-dimensional (3D) borospherene cages of larger sizes. A seashell-like B 28 - cluster was previously shown to be the smallest borospherene, which competes with a quasi-planar isomer for the global minimum. Here we report a study on the structures and bonding of the B 29 - and B 29 clusters using photoelectron spectroscopy (PES) and first-principles calculations and demonstrate the continued competition between the 2D and borospherene structures. The PES spectrum of B 29 - displays a complex pattern with evidence of low-lying isomers. Global-minimum searches and extensive theoretical calculations revealed a complicated potential energy surface for B 29 - with five low-lying isomers, among which the lowest three were shown to contribute to the experimental spectrum. A 3D seashell-like C s (2, 1 A') isomer, featuring two heptagons on the waist and one octagon at the bottom, is the global minimum for B 29 - , followed by a 2D C 1 (3, 1 A) isomer with a hexagonal hole and a stingray-shaped 2D C s (1, 1 A') isomer with a pentagonal hole. However, by taking into account the entropic effects, the stingray-shaped isomer 1 was shown to be the lowest in energy at room temperature and was found to dominate the PES spectrum. Isomers 2 and 3, which have lower electron binding energies, were also found to be present in the experiment. Chemical bonding analyses showed that isomer 1 is an all-boron analogue of benzo[ghi]fluoranthene (C 18 H 10 ), whereas the borospherene isomer 2 possesses 18π electrons, conforming to the 2(N + 1) 2 electron counting rule for spherical aromaticity. For the B 29 neutral cluster, the seashell-like borospherene isomer is the global minimum, significantly lower in energy than the stingray-shaped quasi-planar structure.

Observation of an all-boron fullerene

NASA Astrophysics Data System (ADS)

Zhai, Hua-Jin; Zhao, Ya-Fan; Li, Wei-Li; Chen, Qiang; Bai, Hui; Hu, Han-Shi; Piazza, Zachary A.; Tian, Wen-Juan; Lu, Hai-Gang; Wu, Yan-Bo; Mu, Yue-Wen; Wei, Guang-Feng; Liu, Zhi-Pan; Li, Jun; Li, Si-Dian; Wang, Lai-Sheng

2014-08-01

After the discovery of fullerene-C60, it took almost two decades for the possibility of boron-based fullerene structures to be considered. So far, there has been no experimental evidence for these nanostructures, in spite of the progress made in theoretical investigations of their structure and bonding. Here we report the observation, by photoelectron spectroscopy, of an all-boron fullerene-like cage cluster at B40- with an extremely low electron-binding energy. Theoretical calculations show that this arises from a cage structure with a large energy gap, but that a quasi-planar isomer of B40- with two adjacent hexagonal holes is slightly more stable than the fullerene structure. In contrast, for neutral B40 the fullerene-like cage is calculated to be the most stable structure. The surface of the all-boron fullerene, bonded uniformly via delocalized σ and π bonds, is not perfectly smooth and exhibits unusual heptagonal faces, in contrast to C60 fullerene.

Observation of an all-boron fullerene.

PubMed

Zhai, Hua-Jin; Zhao, Ya-Fan; Li, Wei-Li; Chen, Qiang; Bai, Hui; Hu, Han-Shi; Piazza, Zachary A; Tian, Wen-Juan; Lu, Hai-Gang; Wu, Yan-Bo; Mu, Yue-Wen; Wei, Guang-Feng; Liu, Zhi-Pan; Li, Jun; Li, Si-Dian; Wang, Lai-Sheng

2014-08-01

After the discovery of fullerene-C60, it took almost two decades for the possibility of boron-based fullerene structures to be considered. So far, there has been no experimental evidence for these nanostructures, in spite of the progress made in theoretical investigations of their structure and bonding. Here we report the observation, by photoelectron spectroscopy, of an all-boron fullerene-like cage cluster at B40(-) with an extremely low electron-binding energy. Theoretical calculations show that this arises from a cage structure with a large energy gap, but that a quasi-planar isomer of B40(-) with two adjacent hexagonal holes is slightly more stable than the fullerene structure. In contrast, for neutral B40 the fullerene-like cage is calculated to be the most stable structure. The surface of the all-boron fullerene, bonded uniformly via delocalized σ and π bonds, is not perfectly smooth and exhibits unusual heptagonal faces, in contrast to C60 fullerene.

Competition between drum and quasi-planar structures in RhB18 –: motifs for metallo-boronanotubes and metallo-borophenes† †Electronic supplementary information (ESI) available: The photoelectron spectrum of RhB18 – at 266 nm; the top 42 low-lying isomers of RhB18 –; the relative Gibbs free energies, valence molecular orbitals, and coordinates of the two most stable isomers of RhB18 –. See DOI: 10.1039/c6sc02623k Click here for additional data file.

PubMed Central

Jian, Tian; Li, Wan-Lu; Chen, Xin; Chen, Teng-Teng; Lopez, Gary V.

2016-01-01

Metal-doped boron clusters provide new opportunities to design nanoclusters with interesting structures and bonding. A cobalt-doped boron cluster, CoB18 –, has been observed recently to be planar and can be viewed as a motif for metallo-borophenes, whereas the D 9d drum isomer as a motif for metallo-boronanotubes is found to be much higher in energy. Hence, whether larger doped boron drums are possible is still an open question. Here we report that for RhB18 – the drum and quasi-planar structures become much closer in energy and co-exist experimentally, revealing a competition between the metallo-boronanotube and metallo-borophene structures. Photoelectron spectroscopy of RhB18 – shows a complicated spectral pattern, suggesting the presence of two isomers. Quantum chemistry studies indicate that the D 9d drum isomer and a quasi-planar isomer (C s) compete for the global minimum. The enhanced stability of the drum isomer in RhB18 – is due to the less contracted Rh 4d orbitals, which can have favorable interactions with the B18 drum motif. Chemical bonding analyses show that the quasi-planar isomer of RhB18 – is aromatic with 10 π electrons, whereas the observed RhB18 – drum cluster sets a new record for coordination number of eighteen among metal complexes. The current finding shows that the size of the boron drum can be tuned by appropriate metal dopants, suggesting that even larger boron drums with 5d, 6d transition metal, lanthanide or actinide metal atoms are possible. PMID:28451138

Tensile stress-strain behavior of boron/aluminum laminates

NASA Technical Reports Server (NTRS)

Sova, J. A.; Poe, C. C., Jr.

1978-01-01

The tensile stress-strain behavior of five types of boron/aluminum laminates was investigated. Longitudinal and transverse stress-strain curves were obtained for monotonic loading to failure and for three cycles of loading to successively higher load levels. The laminate strengths predicted by assuming that the zero deg plies failed first correlated well with the experimental results. The stress-strain curves for all the boron/aluminum laminates were nonlinear except at very small strains. Within the small linear regions, elastic constants calculated from laminate theory corresponded to those obtained experimentally to within 10 to 20 percent. A limited amount of cyclic loading did not affect the ultimate strength and strain for the boron/aluminum laminates. The laminates, however, exhibited a permanent strain on unloading. The Ramberg-Osgood equation was fitted to the stress-strain curves to obtain average curves for the various laminates.

Anode performance of boron-doped graphites prepared from shot and sponge cokes

NASA Astrophysics Data System (ADS)

Liu, Tao; Luo, Ruiying; Yoon, Seong-Ho; Mochida, Isao

The structures and anode performances of graphitized pristine and boron-doped shot and sponge cokes have been comparatively studied by means of scanning electron microscope (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and galvanostatic measurement. The results show that high degree of graphitization can be obtained by the substituted boron atom in the carbon lattice, and boron in the resultant boron-doped graphites mainly exist in the form of boron carbide and boron substituted in the carbon lattice. Both of boron-doped graphites from shot and sponge cokes obtain discharge capacity of 350 mAh g -1 and coulombic efficiency above 90%. Apart from commonly observed discharge plateau for graphite, boron-doped samples in this study also show a small plateau at ca. 0.06 V. This phenomenon can be explained that Li ion stores in the site to be void-like spaces that are produced by "molecular bridging" between the edge sites of graphene layer stack with a release of boron atoms substituted at the edge of graphene layer. The effect of the amount of boron dopant and graphitization temperature on the anode performance of boron-doped graphite are also investigated in this paper.

A first-principles core-level XPS study on the boron impurities in germanium crystal

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

Yamauchi, Jun; Yoshimoto, Yoshihide; Suwa, Yuji

2013-12-04

We systematically investigated the x-ray photoelectron spectroscopy (XPS) core-level shifts and formation energies of boron defects in germanium crystals and compared the results to those in silicon crystals. Both for XPS core-level shifts and formation energies, relationship between defects in Si and Ge is roughly linear. From the similarity in the formation energy, it is expected that the exotic clusters like icosahedral B12 exist in Ge as well as in Si.

Mimicking the magnetic properties of rare earth elements using superatoms.

PubMed

Cheng, Shi-Bo; Berkdemir, Cuneyt; Castleman, A W

2015-04-21

Rare earth elements (REs) consist of a very important group in the periodic table that is vital to many modern technologies. The mining process, however, is extremely damaging to the environment, making them low yield and very expensive. Therefore, mimicking the properties of REs in a superatom framework is especially valuable but at the same time, technically challenging and requiring advanced concepts about manipulating properties of atom/molecular complexes. Herein, by using photoelectron imaging spectroscopy, we provide original idea and direct experimental evidence that chosen boron-doped clusters could mimic the magnetic characteristics of REs. Specifically, the neutral LaB and NdB clusters are found to have similar unpaired electrons and magnetic moments as their isovalent REs (namely Nd and Eu, respectively), opening up the great possibility in accomplishing rare earth mimicry. Extension of the superatom concept into the rare earth group not only further shows the power and advance of this concept but also, will stimulate more efforts to explore new superatomic clusters to mimic the chemistry of these heavy atoms, which will be of great importance in designing novel building blocks in the application of cluster-assembled nanomaterials. Additionally, based on these experimental findings, a novel "magic boron" counting rule is proposed to estimate the numbers of unpaired electrons in diatomic LnB clusters.

Identification of B-K near edge x-ray absorption fine structure peaks of boron nitride thin films prepared by sputtering deposition

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

Niibe, Masahito; Miyamoto, Kazuyoshi; Mitamura, Tohru

2010-09-15

Four {pi}{sup *} resonance peaks were observed in the B-K near edge x-ray absorption fine structure spectra of boron nitride thin films prepared by magnetron sputtering. In the past, these peaks have been explained as the K-absorption of boron atoms, which are present in environment containing nitrogen vacancies, the number of which is 1-3 corresponding to the three peaks at higher photon energy. However, the authors found that there was a strong correlation between the intensities of these three peaks and that of O-K absorption after wide range scanning and simultaneous measurement of nitrogen and oxygen K-absorptions of the BNmore » films. Therefore, the authors conclude that these three peaks at the higher energy side correspond to boron atoms bound to one-to-three oxygen atoms instead of three nitrogen atoms surrounding the boron atom in the h-BN structure. The result of the first-principles calculation with a simple cluster model supported the validity of this explanation.« less

Nature of Bonding in Bowl-Like B36 Cluster Revisited: Concentric (6π+18π) Double Aromaticity and Reason for the Preference of a Hexagonal Hole in a Central Location.

PubMed

Li, Rui; You, Xue-Rui; Wang, Kang; Zhai, Hua-Jin

2018-05-04

The bowl-shaped C 6v B 36 cluster with a central hexagon hole is considered an ideal molecular model for low-dimensional boron-based nanosystems. Owing to the electron deficiency of boron, chemical bonding in the B 36 cluster is intriguing, complicated, and has remained elusive despite a couple of papers in the literature. Herein, a bonding analysis is given through canonical molecular orbitals (CMOs) and adaptive natural density partitioning (AdNDP), further aided by natural bond orbital (NBO) analysis and orbital composition calculations. The concerted computational data establish the idea of concentric double π aromaticity for the B 36 cluster, with inner 6π and outer 18π electron counting, which both conform to the (4n+2) Hückel rule. The updated bonding picture differs from existing knowledge of the system. A refined bonding model is also proposed for coronene, of which the B 36 cluster is an inorganic analogue. It is further shown that concentric double π aromaticity in the B 36 cluster is retained and spatially fixed, irrespective of the migration of the hexagonal hole; the latter process changes the system energetically. The hexagonal hole is a destabilizing factor for σ/π CMOs. The central hexagon hole affects substantially fewer CMOs, thus making the bowl-shaped C 6v B 36 cluster the global minimum. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of the ion source for cluster implantation

NASA Astrophysics Data System (ADS)

Kulevoy, T. V.; Seleznev, D. N.; Kozlov, A. V.; Kuibeda, R. P.; Kropachev, G. N.; Alexeyenko, O. V.; Dugin, S. N.; Oks, E. M.; Gushenets, V. I.; Hershcovitch, A.; Jonson, B.; Poole, H. J.

2014-02-01

Bernas ion source development to meet needs of 100s of electron-volt ion implanters for shallow junction production is in progress in Institute for Theoretical and Experimental Physics. The ion sources provides high intensity ion beam of boron clusters under self-cleaning operation mode. The last progress with ion source operation is presented. The mechanism of self-cleaning procedure is described.

FOD impact testing of composite fan blades

NASA Technical Reports Server (NTRS)

Johns, R. H.

1974-01-01

The results of impact tests on large, fiber composite fan blades for aircraft turbofan engine applications are discussed. Solid composite blades of two different sizes and designs were tested. Both graphite/epoxy and boron/epoxy were evaluated. In addition, a spar-shell blade design was tested that had a boron/epoxy shell bonded to a titanium spar. All blades were tested one at a time in a rotating arm rig to simulate engine operating conditions. Impacting media included small gravel, two inch diameter ice balls, gelatin and RTV foam-simulated birds, as well as starlings and pigeons. The results showed little difference in performance between the graphite and boron/epoxy blades. The results also indicate that composite blades may be able to tolerate ice ball and small bird impacts but need improvement to tolerate birds in the small duck and larger category.

FOD impact testing of composite fan blades

NASA Technical Reports Server (NTRS)

Johns, R. H.

1974-01-01

The results of impact tests on large, fiber composite fan blades for aircraft turbofan engine applications are discussed. Solid composite blades of two different sizes and designs were tested. Both graphite/epoxy and boron/epoxy were evaluated. In addition, a spar-shell blade design was tested that had a boron/epoxy shell bonded to a titanium spar. All blades were tested one at a time in a rotating arm rig to simulate engine operating conditions. Impacting media included small gravel, two inch diameter ice balls, gelatin, and RTV foam-simulated birds, as well as starlings and pigeons. The results showed little difference in performance between the graphite and boron/epoxy blades. The results also indicate that composite blades may be able to tolerate ice ball and small bird impacts but need improvement to tolerate birds in the small duck and larger category.

Impact testing on composite fan blades

NASA Technical Reports Server (NTRS)

Johns, R. H.

1974-01-01

The results of impact tests on large, fiber composite fan blades for aircraft turbofan engine applications are discussed. Solid composite blades of two different sizes and designs were tested. Both graphite/epoxy and boron/epoxy were evaluated. In addition, a spar-shell blade design was tested that had a boron/epoxy shell bonded to a titanium spar. All blades were tested one at a time in a rotating arm rig to simulate engine operating conditions. Impacting media included small gravel, two inch diameter ice balls, gelatin and RTV foam-simulated birds, as well as starlings and pigeons. The results showed little difference in performance between the graphite and boron/epoxy blades. The results also indicate that composite blades may be able to tolerate ice ball and small bird impacts but need improvement to tolerate birds in the small duck and larger category.

Intracellular delivery and passive tumor targeting of a self-assembled nanogel containing carborane clusters for boron neutron capture therapy.

PubMed

Kawasaki, Riku; Sasaki, Yoshihiro; Akiyoshi, Kazunari

2017-01-29

Boron neutron capture therapy, based on the release of thermal neutron irradiation from boron, is a targeted radiation therapy for cancer. Targeted and sufficient accumulation of boron in tumor cells to achieve cytotoxic efficacy and reduce off-target effects remains a challenge. Carborane has been investigated for use as a delivery agent in boron neutron capture therapy because of its high boron content and chemical stability; however, it is cytotoxic, making safe delivery difficult. The aim of this study was to investigate the potential of carborane-bearing pullulan nanogels to safely and effectively deliver boron to tumor cells in vitro and in vivo and, consequently, assess their potential as a boron neutron capture therapeutic. Murine fibrosarcoma cells (CMS5a) were used for in vitro investigations of nanogel cytotoxicity, cell uptake. A mouse fibrosarcoma xenograft model was used to investigate the bio-distribution of nanogels after intravenous administration. The nanogels produced no apparent cytotoxicity and underwent cell uptake in CMS5a cells after a 24 h incubation at up to 2000 μg/mL and 400 μg/mL, respectively. The internalized nanogels were localized around the nuclear membrane. The nanogels were administered intravenously to mice bearing fibrosarcoma xenografts. Nanogel tumor localization likely occurred through the enhanced permeation and retention effect. The nanogels successfully reduced the cytotoxicity of carborane, were internalized into tumor cells, acted as a dual-delivery therapeutic and accumulated in tumors in vivo. Consequently, they demonstrate significant potential as a boron neutron capture therapeutic. Copyright © 2016 Elsevier Inc. All rights reserved.

Silica nanoparticles carrying boron-containing polymer brushes

NASA Astrophysics Data System (ADS)

Brozek, Eric M.; Mollard, Alexis H.; Zharov, Ilya

2014-05-01

A new class of surface-modified silica nanoparticles has been developed for potential applications in boron neutron capture therapy. Sub-50 nm silica particles were synthesized using a modified Stöber method and used in surface-initiated atom transfer radical polymerization of two biocompatible polymers, poly(2-(hydroxyethyl)methacrylate) and poly(2-(methacryloyloxy)ethyl succinate). The carboxylic acid and hydroxyl functionalities of the polymeric side chains were functionalized with carboranyl clusters in high yields. The resulting particles were characterized using DLS, TEM, solution 1H NMR, solid state 11B NMR and thermogravimetric analysis. The particles contain between 13 and 18 % of boron atoms by weight, which would provide a high amount of 10B nuclides for BNCT, while the polymer chains are suitable for further modification with cell targeting ligands.

Molecular dynamics simulations of trihalomethanes removal from water using boron nitride nanosheets.

PubMed

Azamat, Jafar; Khataee, Alireza; Joo, Sang Woo

2016-04-01

Molecular dynamics simulations were performed to investigate the separation of trihalomethanes (THMs) from water using boron nitride nanosheets (BNNSs). The studied systems included THM molecules and a functionalized BNNS membrane immersed in an aqueous solution. An external pressure was applied to the z axis of the systems. Two functionalized BNNSs with large fluorinated-hydrogenated pore (F-H-pores) and small hydrogen-hydroxyl pore (H-OH-pores) were used. The pores of the BNNS membrane were obtained by passivating each nitrogen and boron atoms at the pore edges with fluorine and hydrogen atoms in the large pore or with hydroxyl and hydrogen atoms in the small pore. The results show that the BNNS with a small functionalized pore was impermeable to THM molecules, in contrast to the BNNS with a large functionalized pore. Using these membranes, water contaminants can be removed at lower cost.

Diamond nanowires for highly sensitive matrix-free mass spectrometry analysis of small molecules.

PubMed

Coffinier, Yannick; Szunerits, Sabine; Drobecq, Hervé; Melnyk, Oleg; Boukherroub, Rabah

2012-01-07

This paper reports on the use of boron-doped diamond nanowires (BDD NWs) as an inorganic substrate for matrix-free laser desorption/ionization mass spectrometry (LDI-MS) analysis of small molecules. The diamond nanowires are prepared by reactive ion etching (RIE) with oxygen plasma of highly boron-doped (the boron level is 10(19) B cm(-3)) or undoped nanocrystalline diamond substrates. The resulting diamond nanowires are coated with a thin silicon oxide layer that confers a superhydrophilic character to the surface. To minimize droplet spreading, the nanowires were chemically functionalized with octadecyltrichlorosilane (OTS) and then UV/ozone treated to reach a final water contact angle of 120°. The sub-bandgap absorption under UV laser irradiation and the heat confinement inside the nanowires allowed desorption/ionization, most likely via a thermal mechanism, and mass spectrometry analysis of small molecules. A detection limit of 200 zeptomole for verapamil was demonstrated.

N2O reduction over a fullerene-like boron nitride nanocage: A DFT study

NASA Astrophysics Data System (ADS)

Esrafili, Mehdi D.

2017-07-01

We study, for the first time, the adsorption and catalytic decomposition of N2O molecule over a fullerene-like boron nitride nanocage (B12N12) using density functional theory calculations. It is found that the electron donating property of the cage plays an important role in the adsorption and activation of N2O. By the incorporation of a carbon atom into B12N12 cluster, our results indicate that the adsorption of N2O over B11N12C or B12N11C is more stronger than over pristine B12N12. The decomposition of N2O into N2 and O species over the C-doped clusters is energetically more favorable than that on B12N12. Moreover, the C-doping plays an important role in reducing the activation barrier for the CO + O* reaction over B12N12 surface.

B38: an all-boron fullerene analogue.

PubMed

Lv, Jian; Wang, Yanchao; Zhu, Li; Ma, Yanming

2014-10-21

Fullerene-like structures formed by elements other than carbon have long been sought. Finding all-boron (B) fullerene-like structures is challenging due to the geometrical frustration arising from competitions among various structural motifs. We report here the prediction of a B38 fullerene analogue found through first-principles swarm structure searching calculations. The structure is highly symmetric and consists of 56 triangles and four hexagons, which provide an optimal void in the center of the cage. Energetically, it is more favorable than the planar and tubular structures, and possesses an unusually high chemical stability: a large energy gap (∼2.25 eV) and a high double aromaticity, superior to those of most aromatic quasi-planar B12 and double-ring B20 clusters. Our findings represent a key step forward towards to the understanding of structures of medium-sized B clusters and map out the experimental direction of the synthesis of an all-B fullerene analogue.

Preparation, Characterization and Adsorption Study of Granular Activated Carbon/Iron oxide composite for the Removal of Boron and Organics from Wastewater

NASA Astrophysics Data System (ADS)

Chioma Affam, Augustine; Chung Wong, Chee; Seyam, Mohammed A. B.; Matt, Chelsea Ann Anak Frederick; Lantan Anak Sumbai, Josephine; Evuti, Abdullahi Mohammed

2018-03-01

Boron and organics maybe in high concentration during production of oil and gas, fertilizers, glass, and detergents. In addition, boron added to these industrial processes may require to be removed by the wastewater treatment plant. The preparation, characterization and application of iron oxide-activated carbon composite for removal of boron and COD was studied. The one variable at a time (OVAT) method was implemented to obtain desirable operating conditions (adsorbent dosage 5 g/L, reaction time 2 h, agitation speed 100 rpm, pH 5 for COD removal and pH 9 for boron removal). It was found that boron and organics present in a sample wastewater may require to be treated separately to remove the contaminants. The study achieved 97 and 70% for boron and COD removal, respectively. Adsorption as an alternative cheap source of treatment and its practicability for small communities is recommended as effective in removal of contaminants from river water.

Theoretical Investigation of Stabilizing Mechanism by Boron in Body-Centered Cubic Iron Through (Fe,Cr)23(C,B)6 Precipitates

NASA Astrophysics Data System (ADS)

Sahara, Ryoji; Matsunaga, Tetsuya; Hongo, Hiromichi; Tabuchi, Masaaki

2016-05-01

Small amounts of boron improve the mechanical properties in high-chromium ferritic heat-resistant steels. In this work, the stabilizing mechanism by boron in body-centered cubic iron (bcc Fe) through (Fe,Cr)23(C,B)6 precipitates was investigated by first-principles calculations. Formation energy analysis of (Fe,Cr)23(C,B)6 reveals that the compounds become more stable to elemental solids as the boron concentration increases. Furthermore, the interface energy of bcc Fe(110) || Fe23(C,B)6(111) also decreases with boron concentration in the compounds. The decreased interface energy caused by boron addition is explained by the balance between the change in the phase stability of the precipitates and the change in the misfit parameter for the bcc Fe matrix and the precipitates. These results show that boron stabilizes the microstructure of heat-resistant steels, which is important for understanding the origins of the creep strength in ferritic steels.

Evaluation of a boron-nitrogen, phosphate-free fire-retardant treatment. Part II, Testing of small clear specimens per ASTM Standard D 5664-95, Methods A and B

Treesearch

Jerrold E. Winandy; Douglas Herdman

2003-01-01

The objective of this work was to evaluate the effects of a new boron-nitrogen, phosphate-free fire-retardant (FR) formulation on several mechanical properties of FR-treated wood and to assess the potential of this treatment for in-service thermal-induced strength loss resulting from exposure to high temperature. Fire-retardant-treated and untreated small clear...

Intracellular delivery and passive tumor targeting of a self-assembled nanogel containing carborane clusters for boron neutron capture therapy

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

Kawasaki, Riku; JST-ERATO, Japan Science and Technology Agency; Sasaki, Yoshihiro

Boron neutron capture therapy, based on the release of thermal neutron irradiation from boron, is a targeted radiation therapy for cancer. Targeted and sufficient accumulation of boron in tumor cells to achieve cytotoxic efficacy and reduce off-target effects remains a challenge. Carborane has been investigated for use as a delivery agent in boron neutron capture therapy because of its high boron content and chemical stability; however, it is cytotoxic, making safe delivery difficult. The aim of this study was to investigate the potential of carborane-bearing pullulan nanogels to safely and effectively deliver boron to tumor cells in vitro and in vivo and,more » consequently, assess their potential as a boron neutron capture therapeutic. Murine fibrosarcoma cells (CMS5a) were used for in vitro investigations of nanogel cytotoxicity, cell uptake. A mouse fibrosarcoma xenograft model was used to investigate the bio-distribution of nanogels after intravenous administration. The nanogels produced no apparent cytotoxicity and underwent cell uptake in CMS5a cells after a 24 h incubation at up to 2000 μg/mL and 400 μg/mL, respectively. The internalized nanogels were localized around the nuclear membrane. The nanogels were administered intravenously to mice bearing fibrosarcoma xenografts. Nanogel tumor localization likely occurred through the enhanced permeation and retention effect. The nanogels successfully reduced the cytotoxicity of carborane, were internalized into tumor cells, acted as a dual-delivery therapeutic and accumulated in tumors in vivo. Consequently, they demonstrate significant potential as a boron neutron capture therapeutic. - Highlights: • A carborane-bearing pullulan nanogel is developed as a boron delivery agent. • The nanogels are cell-friendly and show effective cell uptake for drug delivery. • The nanogels show passive tumor targeting by enhanced permeation and retention.« less

Analysis of boron carbides' electronic structure

NASA Technical Reports Server (NTRS)

Howard, Iris A.; Beckel, Charles L.

1986-01-01

The electronic properties of boron-rich icosahedral clusters were studied as a means of understanding the electronic structure of the icosahedral borides such as boron carbide. A lower bound was estimated on bipolaron formation energies in B12 and B11C icosahedra, and the associated distortions. While the magnitude of the distortion associated with bipolaron formation is similar in both cases, the calculated formation energies differ greatly, formation being much more favorable on B11C icosahedra. The stable positions of a divalent atom relative to an icosahedral borane was also investigated, with the result that a stable energy minimum was found when the atom is at the center of the borane, internal to the B12 cage. If incorporation of dopant atoms into B12 cages in icosahedral boride solids is feasible, novel materials might result. In addition, the normal modes of a B12H12 cluster, of the C2B10 cage in para-carborane, and of a B12 icosahedron of reduced (D sub 3d) symmetry, such as is found in the icosahedral borides, were calculated. The nature of these vibrational modes will be important in determining, for instance, the character of the electron-lattice coupling in the borides, and in analyzing the lattice contribution to the thermal conductivity.

Immunocytochemistry by electron spectroscopic imaging using a homogeneously boronated peptide.

PubMed

Kessels, M M; Qualmann, B; Klobasa, F; Sierralta, W D

1996-05-01

A linear all-L-oligopeptide containing five carboranyl amino acids (corresponding to 50 boron atoms) was synthesized and specifically attached to the free thiol group of monovalent antibody fragments F(ab)'. The boronated immunoreagent was used for the direct post-embedding detection of somatotrophic hormone in ultrathin sections of porcine pituitary embedded in Spurr resin. The specific boron-labelling of secretory vesicles in somatotrophs was detected by electron spectroscopic imaging and confirmed by conventional immunogold labelling run in parallel. In comparison with immunogold, boron-labelled F(ab)'-fragments showed higher tagging frequencies, as was expected; the small uncharged immunoreagents have an elongated shape and carry the antigen-combining structure and the detection tag at opposite ends, thus allowing for high spatial resolution in electron spectroscopic imaging.

High Temperature Oxidation of Boron Nitride. Part 1; Monolithic Boron Nitride

NASA Technical Reports Server (NTRS)

Jacobson, Nathan; Farmer, Serene; Moore, Arthur; Sayir, Haluk

1997-01-01

High temperature oxidation of monolithic boron nitride (BN) is examined. Hot pressed BN and both low and high density CVD BN were studied. It is shown that oxidation rates are quite sensitive to microstructural factors such as orientation, porosity, and degree of crystallinity. In addition small amounts of water vapor lead to volatilization of the B2O3 oxide as H(x)B(y)O(z). For these reasons, very different oxidation kinetics were observed for each type of BN.

Planar dicyclic B{sub 6}S{sub 6}, B{sub 6}S{sub 6}{sup −}, and B{sub 6}S{sub 6}{sup 2−} clusters: Boron sulfide analogues of naphthalene

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

Li, Da-Zhi; Bai, Hui; Ou, Ting

2015-01-07

Inorganic analogues of hydrocarbons or polycyclic aromatic hydrocarbons (PAHs) are of current interest in chemistry. Based upon global structural searches and B3LYP and CCSD(T) calculations, we present herein the perfectly planar dicyclic boron sulfide clusters: D{sub 2h} B{sub 6}S{sub 6} (1, {sup 1}A{sub g}), D{sub 2h} B{sub 6}S{sub 6}{sup −} (2, {sup 2}B{sub 3u}), and D{sub 2h} B{sub 6}S{sub 6}{sup 2−} (3, {sup 1}A{sub g}). These are the global minima of the systems, being at least 0.73, 0.81, and 0.53 eV lower in energy, respectively, than their alternative isomers at the CCSD(T) level. The D{sub 2h} structures feature twin B{submore » 3}S{sub 2} five-membered rings, which are fused together via a B{sub 2} unit and terminated by two BS groups. Bonding analyses show that the closed-shell B{sub 6}S{sub 6}{sup 2−} (3) cluster possesses 10 delocalized π electrons, closely analogous to the bonding pattern of the aromatic naphthalene C{sub 10}H{sub 8}. The B{sub 6}S{sub 6}{sup −} (2) and B{sub 6}S{sub 6} (1) species are readily obtained upon removal of one or two π electrons from B{sub 6}S{sub 6}{sup 2−} (3). The results build a new analogous relationship between boron sulfide clusters and their PAH counterparts. The B{sub 6}S{sub 6}{sup −} (2) monoanion and B{sub 6}S{sub 6}{sup 2−} (3) dianion can be effectively stabilized in neutral LiB{sub 6}S{sub 6} and Li{sub 2}B{sub 6}S{sub 6} salts, respectively.« less

B38: an all-boron fullerene analogue

NASA Astrophysics Data System (ADS)

Lv, Jian; Wang, Yanchao; Zhu, Li; Ma, Yanming

2014-09-01

Fullerene-like structures formed by elements other than carbon have long been sought. Finding all-boron (B) fullerene-like structures is challenging due to the geometrical frustration arising from competitions among various structural motifs. We report here the prediction of a B38 fullerene analogue found through first-principles swarm structure searching calculations. The structure is highly symmetric and consists of 56 triangles and four hexagons, which provide an optimal void in the center of the cage. Energetically, it is more favorable than the planar and tubular structures, and possesses an unusually high chemical stability: a large energy gap (~2.25 eV) and a high double aromaticity, superior to those of most aromatic quasi-planar B12 and double-ring B20 clusters. Our findings represent a key step forward towards to the understanding of structures of medium-sized B clusters and map out the experimental direction of the synthesis of an all-B fullerene analogue.Fullerene-like structures formed by elements other than carbon have long been sought. Finding all-boron (B) fullerene-like structures is challenging due to the geometrical frustration arising from competitions among various structural motifs. We report here the prediction of a B38 fullerene analogue found through first-principles swarm structure searching calculations. The structure is highly symmetric and consists of 56 triangles and four hexagons, which provide an optimal void in the center of the cage. Energetically, it is more favorable than the planar and tubular structures, and possesses an unusually high chemical stability: a large energy gap (~2.25 eV) and a high double aromaticity, superior to those of most aromatic quasi-planar B12 and double-ring B20 clusters. Our findings represent a key step forward towards to the understanding of structures of medium-sized B clusters and map out the experimental direction of the synthesis of an all-B fullerene analogue. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr01846j

Boron-Containing Compounds for Liposome-Mediated Tumor Localization and Application to Neutron Capture Therapy

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

Hawthorne, M. Frederick

2005-04-07

Medical application of boron neutron capture therapy (BNCT) has been significantly hindered by the slow development of boron drug-targeting methodologies for the selective delivery of high boron concentration sto malignant cells. We have successfully sought to fill this need by creating liposomes suitable as in vivo boron delivery vehicles for BNCT. Delivery of therapeutic quantities of boron to tumors in murine models has been achieved with small unilamellar boron-rich liposomes. Subsequently, attempts have been made to improve delivery efficiency of liposomes encapsulating boron-containing water-soluble species into their hollow core by incorporating lipophilic boron compounds as addenda to the liposome bilayer,more » incorporating boron compounds as structural components of the bilayer (which however, poses the risk of sacrificing some stability), and combinations thereof. Regardless of the method, approximately 90% of the total liposome mass remains therapeutically inactive and comprised of the vehicle's construction materials, while less than 5% is boron for neutron targeting. Following this laboratory's intensive study, the observed tumor specificity of certain liposomes has been attributed to their diminutive size of these liposomes (30-150 nm), which enables these small vesicles to pass through the porous, immature vasculature of rapidly growing tumor tissue. We surmised that any amphiphilic nanoparticle of suitable size could possess some tumor selectivity. Consequently, the discovery of a very boron-rich nanoparticle delivery agent with biodistribution performance similar to unilamellar liposomes became one of our goals. Closomers, a new class of polyhedral borane derivatives, attracted us as an alternative BNCT drug-delivery system. We specifically envisioned dodeca (nido-carboranyl)-substituted closomers as possibly having a great potential role in BNCT drug delivery. They could function as extraordinarily boron-rich BNCT drugs since they are amphiphilic unimolecular nanoparticles presenting several advantages: tunable size through functionalization and branching, spherical shape due to the icosahedral B122 core, promising water solubility resulting from degradation of all pendant closo-carborane groups to their hydrophilic nido anion substituents, and efficient boron delivery owing to the presence of 120 boron atoms which gives rise to a boron content as high as 40% by weight. Keeping the new objective in mind, we have focused on the design, synthesis and evaluation of new and very boron-rich closomer species. Additionally, progress has also been made toward the evaluation of a newly synthesized boron-rich lipid as a substitute for DSPC in bilayer construction, and the boron content of the resulting liposomes has been greatly enhanced. Related research involving the synthesis and self-assembly of carborane-containing amphiphiles has been systematically studied. Combined hydrophobic and hydrophilic properties of the single-chain amphiphiles allow their spontaneous self-assembly to form rods under a variety of variable conditions, such as concentration in the bilayer, carborane cage structure, chain-length, counterion identity, solvents, methods of preparation, and the ionic charge. On the other hand, the number of attached chains affects the self-assembly process. Particles having totally different shapes have been observed for dual-chain amphiphiles.« less

Oxidative Unzipping and Transformation of High Aspect Ratio Boron Nitride Nanotubes into “White Graphene Oxide” Platelets

PubMed Central

Nautiyal, Pranjal; Loganathan, Archana; Agrawal, Richa; Boesl, Benjamin; Wang, Chunlei; Agarwal, Arvind

2016-01-01

Morphological and chemical transformations in boron nitride nanotubes under high temperature atmospheric conditions is probed in this study. We report atmospheric oxygen induced cleavage of boron nitride nanotubes at temperatures exceeding 750 °C for the first time. Unzipping is then followed by coalescence of these densely clustered multiple uncurled ribbons to form stacks of 2D sheets. FTIR and EDS analysis suggest these 2D platelets to be Boron Nitride Oxide platelets, with analogous structure to Graphene Oxide, and therefore we term them as “White Graphene Oxide” (WGO). However, not all BNNTs deteriorate even at temperatures as high as 1000 °C. This leads to the formation of a hybrid nanomaterial system comprising of 1D BN nanotubes and 2D BN oxide platelets, potentially having advanced high temperature sensing, radiation shielding, mechanical strengthening, electron emission and thermal management applications due to synergistic improvement of multi-plane transport and mechanical properties. This is the first report on transformation of BNNT bundles to a continuous array of White Graphene Oxide nanoplatelet stacks. PMID:27388704

Oxidative Unzipping and Transformation of High Aspect Ratio Boron Nitride Nanotubes into “White Graphene Oxide” Platelets

NASA Astrophysics Data System (ADS)

Nautiyal, Pranjal; Loganathan, Archana; Agrawal, Richa; Boesl, Benjamin; Wang, Chunlei; Agarwal, Arvind

2016-07-01

Morphological and chemical transformations in boron nitride nanotubes under high temperature atmospheric conditions is probed in this study. We report atmospheric oxygen induced cleavage of boron nitride nanotubes at temperatures exceeding 750 °C for the first time. Unzipping is then followed by coalescence of these densely clustered multiple uncurled ribbons to form stacks of 2D sheets. FTIR and EDS analysis suggest these 2D platelets to be Boron Nitride Oxide platelets, with analogous structure to Graphene Oxide, and therefore we term them as “White Graphene Oxide” (WGO). However, not all BNNTs deteriorate even at temperatures as high as 1000 °C. This leads to the formation of a hybrid nanomaterial system comprising of 1D BN nanotubes and 2D BN oxide platelets, potentially having advanced high temperature sensing, radiation shielding, mechanical strengthening, electron emission and thermal management applications due to synergistic improvement of multi-plane transport and mechanical properties. This is the first report on transformation of BNNT bundles to a continuous array of White Graphene Oxide nanoplatelet stacks.

The Combined Action of Duplicated Boron Transporters Is Required for Maize Growth in Boron-Deficient Conditions.

PubMed

Chatterjee, Mithu; Liu, Qiujie; Menello, Caitlin; Galli, Mary; Gallavotti, Andrea

2017-08-01

The micronutrient boron is essential in maintaining the structure of plant cell walls and is critical for high yields in crop species. Boron can move into plants by diffusion or by active and facilitated transport mechanisms. We recently showed that mutations in the maize boron efflux transporter ROTTEN EAR (RTE) cause severe developmental defects and sterility. RTE is part of a small gene family containing five additional members ( RTE2 - RTE6 ) that show tissue-specific expression. The close paralogous gene RTE2 encodes a protein with 95% amino acid identity with RTE and is similarly expressed in shoot and root cells surrounding the vasculature. Despite sharing a similar function with RTE , mutations in the RTE2 gene do not cause growth defects in the shoot, even in boron-deficient conditions. However, rte2 mutants strongly enhance the rte phenotype in soils with low boron content, producing shorter plants that fail to form all reproductive structures. The joint action of RTE and RTE2 is also required in root development. These defects can be fully complemented by supplying boric acid, suggesting that diffusion or additional transport mechanisms overcome active boron transport deficiencies in the presence of an excess of boron. Overall, these results suggest that RTE2 and RTE function are essential for maize shoot and root growth in boron-deficient conditions. Copyright © 2017 by the Genetics Society of America.

INEL BNCT Research Program Annual Report 1993

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

Venhuizen, J.R.

1994-08-01

This report is a summary of the progress and research produced for the Idaho National Engineering Laboratory Boron Neutron Capture Therapy Research Program for calendar year 1993. Contributions from all the principal investigators are included, covering chemistry (pituitary tumor studies, boron drug development including liposomes, lipoproteins, and carboranylalanine derivatives), pharmacology (murine screenings, toxicity testing, boron drug analysis), physics (radiation dosimetry software, neutron beam and filter design, neutron beam measurement dosimetry), and radiation biology (tissue and efficacy studies of small and large animal models). Information on the potential toxicity of borocaptate sodium and boronophenylalanine is presented. Results of 21 spontaneous-tumor-bearing dogsmore » that have been treated with boron neutron capture therapy at the Brookhaven National Laboratory are updated. Boron-containing drug purity verification is discussed in some detail. Advances in magnetic resonance imaging of boron in vivo are discussed. Several boron-carrying drugs exhibiting good tumor uptake are described. Significant progress in the potential of treating pituitary tumors is presented. Measurement of the epithermal-neutron flux of the Petten (The Netherlands) High Flux Reactor beam (HFB11B), and comparison to predictions are shown.« less

Organotin Dyes Bearing Anionic Boron Clusters as Cell-Staining Fluorescent Probes.

PubMed

Muñoz-Flores, Blanca M; Cabrera-González, Justo; Viñas, Clara; Chávez-Reyes, Arturo; Dias, H V Rasika; Jiménez-Pérez, Víctor M; Núñez, Rosario

2018-04-11

Within the cell nucleus, in the nucleoli, ribosomal RNAs are synthesized and participate in several biological processes. To better understand nucleoli-related processes, their visualization is often required, for which specific markers are needed. Herein, we report the design of novel fluorescent organotin compounds derived from 4-hydroxy-N'-((2-hydroxynaphthalen-1-yl)methylene)benzohydrazide and their cytoplasm and nucleoli staining of B16F10 cells in vitro. Tin compounds bearing an aliphatic carbon chain (-C 12 H 25 ) and an electron-donating group (-OH) were prepared, and the latter could be derivatized to bear the boron cluster anions [B 12 H 12 ] 2- and [3,3'-Co(1,2-C 2 B 9 H 11 ) 2 ] - (COSAN). All of the conjugates have been fully characterized and their luminescence properties have been assessed. In general, they show good quantum yields in solution (24-49 %), those for the COSAN derivatives being lower. Remarkably, the linking of [B 12 H 12 ] 2- and COSAN to the complexes made them more soluble, without being detrimental to their luminescence properties. Living B16F10 cells were treated with all of the compounds to determine their fluorescence staining properties; the compounds bearing the aliphatic chain showed a reduced staining capacity due to the formation of aggregates. Notably, the complexes bearing different boron clusters showed different staining effects; those bearing [B 12 H 12 ] 2- showed extraordinary staining of the nucleoli and cytoplasm, whereas those bearing COSAN were only detected in the cytoplasm. The remarkable fluorescence staining properties shown by these organotin compounds make them excellent candidates for fluorescence bioimaging in vitro. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Contribution to the photometric determination of small amounts of boron trioxide in glasses

NASA Technical Reports Server (NTRS)

Markova, D.

1985-01-01

The photometric determination for boron trioxide is described in amounts of 0-75 micrograms B2O3 with an azomethin H reagent. The yellow colored complex which occurs in a medium held at a pH of 4.5 was measured in light of a wavelength of 415 nm.

Very Small Satellite Design for Space Sensor Networks

DTIC Science & Technology

2008-06-01

example, the p and n regions are created by introducing dopant materials, such as boron (B) or phosphorous (P), respectively. Boron has one less valence...AR test chips are subjected to a brief 100 krad (SiO2) TID radiation exposure using a Cobalt -60 source, which was the maximum exposure available at

Many-body expansion of the Fock matrix in the fragment molecular orbital method

NASA Astrophysics Data System (ADS)

Fedorov, Dmitri G.; Kitaura, Kazuo

2017-09-01

A many-body expansion of the Fock matrix in the fragment molecular orbital method is derived up to three-body terms for restricted Hartree-Fock and density functional theory in the atomic orbital basis and compared to the expansion in the basis of fragment molecular orbitals (MOs). The physical nature of many-body corrections is revealed in terms of charge transfer terms. An improvement of the fragment MO expansion is proposed by adding exchange to the embedding. The accuracy of all developed methods is demonstrated in comparison to unfragmented results for polyalanines, a water cluster, Trp-cage (PDB: 1L2Y) and crambin (PDB: 1CRN) proteins, a zeolite cluster, a Si nano-wire, and a boron nitride ribbon. The physical nature of metallicity is discussed, and it is shown what kinds of metallic systems can be treated by fragment-based methods. The density of states is calculated for a fully closed and a partially open nano-ring of boron nitride with a diameter of 105 nm.

A novel carborane analog, BE360, with a carbon-containing polyhedral boron-cluster is a new selective estrogen receptor modulator for bone

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

Hirata, Michiko; Inada, Masaki; Matsumoto, Chiho

Carboranes are a class of carbon-containing polyhedral boron-cluster compounds with globular geometry and hydrophobic surface that interact with hormone receptors. Estrogen deficiency results in marked bone loss due to increased osteoclastic bone resorption in females, but estrogen replacement therapy is not generally used for postmenopausal osteoporosis due to the risk of uterine cancer. We synthesized a novel carborane compound BE360 to clarify its anti-osteoporosis activity. BE360 showed a high binding affinity to estrogen receptors (ER), ER{alpha} and ER{beta}. In ovariectomized (OVX) mice, femoral bone volume was markedly reduced and BE360 dose-dependently restored bone loss in OVX mice. However, BE360 didmore » not exhibit any estrogenic activity in the uterus. BE360 also restored bone loss in orchidectomized mice without androgenic action in the sex organs. Therefore, BE360 is a novel selective estrogen receptor modulator (SERM) that may offer a new therapy option for osteoporosis.« less

Microstructure and surface chemistry of amorphous alloys important to their friction and wear behavior

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1983-01-01

An investigation was conducted to examine the microstructure and surface chemistry of amorphous alloys, and their effects on tribological behavior. The results indicate that the surface oxide layers present on amorphous alloys are effective in providing low friction and a protective film against wear in air. Clustering and crystallization in amorphous alloys can be enhanced as a result of plastic flow during the sliding process at a low sliding velocity, at room temperature. Clusters or crystallines with sizes to 150 nm and a diffused honeycomb-shaped structure are produced on the wear surface. Temperature effects lead to drastic changes in surface chemistry and friction behavior of the alloys at temperatures to 750 C. Contaminants can come from the bulk of the alloys to the surface upon heating and impart to the surface oxides at 350 C and boron nitride above 500 C. The oxides increase friction while the boron nitride reduces friction drastically in vacuum.

Tubes of rhombohedral boron nitride

NASA Astrophysics Data System (ADS)

Bourgeois, L.; Bando, Y.; Sato, T.

2000-08-01

The structure of boron nitride bamboo-like tubular whiskers grown from boron nitride powder is investigated by high-resolution transmission electron microscopy. Despite the relatively small size of the tubes (20-200 nm in diameter), they all exhibit rhombohedral-like ordering in their layer stacking. The tubular sheets also tend to have their [10 bar 1 0] direction parallel to the fibre axis. Particles of iron alloys are commonly found encapsulated inside or at the end of the filaments. It is suggested that iron plays an active role in the growth of the fibres.

Very Long Single and Few-Walled Boron Nitride Nanotubes via the Pressurized Vapor/Condenser Method

NASA Technical Reports Server (NTRS)

Smith, Michael W.; Jordan, Kevin C.; Park, Cheol; Kim, Jae-Woo; Lillehei, Peter T.; Crooks, Roy; Harrison, Joycelyn S.

2009-01-01

A new method for producing long, small diameter, single and few-walled, boron nitride nanotubes (BNNTs) in macroscopic quantities is reported. The pressurized vapor/condenser (PVC) method produces, without catalysts, highly crystalline, very long, small diameter, BNNTs. Palm-sized, cotton-like masses of BNNT raw material were grown by this technique and spun directly into centimeters-long yarn. Nanotube lengths were observed to be 100 times that of those grown by the most closely related method. Self-assembly and growth models for these long BNNTs are discussed.

An inorganic boronate affinity in-needle monolithic device for specific capture of cis-diol containing compounds.

PubMed

Jin, Shanxia; Zhang, Wei; Yang, Qin; Dai, Lili; Zhou, Ping

2018-02-01

In this work, inorganic boronate affinity monolith was prepared by in situ synthesis in 0.33mm i.d. stainless steel needle through sol-gel process using tetraethoxysilane and tetrabutyl orthotitanate as the co-precursors. The morphology, structure and composition of the monolith were characterized. In contrast to conventional boronate affinity materials, inorganic boric acid was used as affinity ligand. Different compounds were used for the evaluation of the boronate affinity of this inorganic monolithic material. The monolith exhibited good selectivity towards cis-diol containing compounds. Recovery of greater than 90% was achieved for in-needle extraction of catechol under neutral conditions. Owing to the hydrophilic property of the monolith, the procedure of affinity chromatography could be performed in aqueous solution. This monolithic in-needle device will be useful for boronate affinity extraction of small-volume samples. Copyright © 2017 Elsevier B.V. All rights reserved.

Boron-rich benzene and pyrene derivatives for the detection of thermal neutrons

PubMed Central

Yemam, Henok A.; Mahl, Adam; Koldemir, Unsal; Remedes, Tyler; Parkin, Sean; Greife, Uwe; Sellinger, Alan

2015-01-01

A synthetic methodology is developed to generate boron rich aromatic small molecules based on benzene and pyrene moieties for the detection of thermal neutrons. The prepared aromatic compounds have a relatively high boron content up to 7.4 wt%, which is important for application in neutron detection as 10B (20% of natural abundance boron) has a large neutron induced reaction cross-section. This is demonstrated by preparing blends of the synthesized molecules with fluorescent dopants in poly(vinyltoluene) matrices resulting in comparable scintillation light output and neutron capture as state-of-the art commercial scintillators, but with the advantage of much lower cost. The boron-rich benzene and pyrene derivatives are prepared by Suzuki conditions using both microwave and traditional heating, affording yields of 40–93%. This new procedure is simple and straightforward, and has the potential to be scaled up. PMID:26334111

Controlled growth of semiconductor crystals

DOEpatents

Bourret-Courchesne, Edith D.

1992-01-01

A method for growth of III-V, II-VI and related semiconductor single crystals that suppresses random nucleation and sticking of the semiconductor melt at the crucible walls. Small pieces of an oxide of boron B.sub.x O.sub.y are dispersed throughout the comminuted solid semiconductor charge in the crucible, with the oxide of boron preferably having water content of at least 600 ppm. The crucible temperature is first raised to a temperature greater than the melt temperature T.sub.m1 of the oxide of boron (T.sub.m1 =723.degree. K. for boron oxide B.sub.2 O.sub.3), and the oxide of boron is allowed to melt and form a reasonably uniform liquid layer between the crucible walls and bottom surfaces and the still-solid semiconductor charge. The temperature is then raised to approximately the melt temperature T.sub.m2 of the semiconductor charge material, and crystal growth proceeds by a liquid encapsulated, vertical gradient freeze process. About half of the crystals grown have a dislocation density of less than 1000/cm.sup.2. If the oxide of boron has water content less than 600 ppm, the crucible material should include boron nitride, a layer of the inner surface of the crucible should be oxidized before the oxide of boron in the crucible charge is melted, and the sum of thicknesses of the solid boron oxide layer and liquid boron oxide layer should be at least 50 .mu.m.

Controlled growth of semiconductor crystals

DOEpatents

Bourret-Courchesne, E.D.

1992-07-21

A method is disclosed for growth of III-V, II-VI and related semiconductor single crystals that suppresses random nucleation and sticking of the semiconductor melt at the crucible walls. Small pieces of an oxide of boron B[sub x]O[sub y] are dispersed throughout the comminuted solid semiconductor charge in the crucible, with the oxide of boron preferably having water content of at least 600 ppm. The crucible temperature is first raised to a temperature greater than the melt temperature T[sub m1] of the oxide of boron (T[sub m1]=723 K for boron oxide B[sub 2]O[sub 3]), and the oxide of boron is allowed to melt and form a reasonably uniform liquid layer between the crucible walls and bottom surfaces and the still-solid semiconductor charge. The temperature is then raised to approximately the melt temperature T[sub m2] of the semiconductor charge material, and crystal growth proceeds by a liquid encapsulated, vertical gradient freeze process. About half of the crystals grown have a dislocation density of less than 1000/cm[sup 2]. If the oxide of boron has water content less than 600 ppm, the crucible material should include boron nitride, a layer of the inner surface of the crucible should be oxidized before the oxide of boron in the crucible charge is melted, and the sum of thicknesses of the solid boron oxide layer and liquid boron oxide layer should be at least 50 [mu]m. 7 figs.

Fillers for improved graphite fiber retention by polymer matrix composites

NASA Technical Reports Server (NTRS)

House, E. E.; Sheppard, C. H.

1981-01-01

The results of a program designed to determine the extent to which elemental boron and boron containing fillers added to the matrix resin of graphite/epoxy composites prevent the release of graphite fibers when the composites are exposed to fire and impact conditions are described. The fillers evaluated were boron, boron carbide and aluminum boride. The conditions evaluated were laboratory simulations of those that could exist in the event of an aircraft crash and burn situation. The baseline (i.e., unfilled) laminates evaluated were prepared from commercially available graphite/epoxy. The baseline and filled laminates' mechanical properties, before and after isothermal and humidity aging, also were compared. It was found that a small amount of graphite fiber was released from the baseline graphite/epoxy laminates during the burn and impact conditions used in this program. However, the extent to which the fibers were released is not considered a severe enough problem to preclude the use of graphite reinforced composites in civil aircraft structure. It also was found that the addition of boron and boron containing fillers to the resin matrix eliminated this fiber release. Mechanical properties of laminates containing the boron and boron containing fillers were lower than those of the baseline laminates. These property degradations for two systems: boron (5 micron) at 2.5 percent filler loading, and boron (5 micron) at 5.0 percent filler loading do not appear severe enough to preclude their use in structural composite applications.

The performance of a boron-loaded gel-fuel ramjet

NASA Astrophysics Data System (ADS)

Haddad, A.; Natan, B.; Arieli, R.

2011-10-01

The present work focuses on the possibility of combining the advantages of ramjet propulsion with the high energetic potential of boron. However, the use of boron poses two major challenges. The first, common to all solid additives to liquid fuels is particle sedimentation and poor dispersion. This problem is solved through the use of a gel fuel. The second obstacle, specific to boron-enriched fuels, is the difficulty in realizing the full energetic potential of boron. This could be overcome by means of an aft-combustion chamber, where fuel-rich combustion products are mixed with cold bypass air. Cooling causes the gaseous boron oxide to condense and, as a consequence, the heat of evaporation trapped in the gaseous oxide is released. The merits of such a combination are assessed through its ability to power an air-to-surface missile of relatively small size, capable of delivering a large payload to over a distance of about 1000 km in short time. The paper presents a preliminary design of a ramjet missile using a gel fuel loaded with boron. The thermochemical aspects of the two-stage combustion of the fuel are considered. A comparison with a solid rocket motor (SRM) missile launched under the same conditions as the ramjet missile is made. The boron-loaded gel-fuel ramjet is found superior for this mission.

Effect of Boron Microalloying Element on Susceptibility to Hydrogen Embrittlement in High Strength Mooring Chain Steel

NASA Astrophysics Data System (ADS)

Li, H.; Cheng, X. Y.; Shen, H. P.; Su, L. C.; Zhang, S. Y.

The susceptibility to hydrogen embrittlement in high strength mooring chain steel with different boron content (0, 0.003 %, 0.008 %) were investigated by electrochemical hydrogen charging technique and tensile test. The results revealed that appropriate boron content can effectively depress hydrogen induced embrittlement. Precharged with a low current density, this effect seemed to be unobvious. It gradually became clearly with the increasing current density. The increase of resistance to the hydrogen embrittlement for 3B and 8B after adding appropriate boron was attributed to three facts. The first was that the segregation of boron atoms along grain boundaries reduced the grain boundary segregation of phosphorus, which prohibited hydrogen concentration at the grain boundaries, depressing the possibility of the intergranular fracture due to H. The second was that the segregation of boron increased intergranular cohesion, enhanced grain boundary strength, and refined the final microstructure. The third was that the addition of boron changed the state of hydrogen traps, leading to the small amount of diffusible hydrogen. That is to say, hydrogen transferred to these defects by dislocations was accordingly decreased, which led to the low sensitive of hydrogen induced cracking.

Fibrous refractory composite insulation. [shielding reusable spacecraft

NASA Technical Reports Server (NTRS)

Leiser, D. B.; Goldstein, H. E.; Smith, M. (Inventor)

1979-01-01

A refractory composite insulating material was prepared from silica fibers and aluminosilicate fibers in a weight ratio ranging from 1:19 to 19:1, and about 0.5 to 30% boron oxide, based on the total fiber weight. The aluminosilicate fiber and boron oxide requirements may be satisfied by using aluminoborosilicate fibers and, in such instances, additional free boron oxide may be incorporated in the mix up to the 30% limit. Small quantities of refractory opacifiers, such as silicon carbide, may be also added. The composites just described are characterized by the absence of a nonfibrous matrix.

Anisotropic Eliashberg theory of MgB 2: Tc, isotope effects, superconducting energy gaps, quasiparticles, and specific heat

NASA Astrophysics Data System (ADS)

Choi, Hyoung Joon; Cohen, Marvin L.; Louie, Steven G.

2003-03-01

The anisotropic Eliashberg formalism, employing results from the ab initio pseudopotential density functional calculations, is applied to study the superconducting properties of MgB 2. It is shown that the relatively high transition temperature of MgB 2 originates from strong electron-phonon coupling of the hole states in the boron σ-bonds although the coupling strength averaged over the Fermi surface is moderate, and the reduction of the isotope effect arises from the large anharmonicity of the relevant phonons. The superconducting energy gap is nodeless but its value varies strongly on different pieces of the Fermi surface. The gap values Δ( k) cluster into two groups at low temperature, a small value of ∼2 meV and a large value of ∼7 meV, resulting in two thresholds in the quasiparticle density of states and an increase in the specific heat at low temperature due to quasiparticle excitations over the small gap. All of these results are in good agreement with corresponding experiments and support the view that MgB 2 is a phonon-mediated multiple-gap superconductor.

Extended Basis Set Calculations of Atomization Energies: Comparison of Isogyric and Direct Results.

DTIC Science & Technology

1989-09-01

CF . Adams and .J. Page, "Structures an Energies for Small Boron Co pounds . One and Two Boron Compounds," BRI, Technical Repor in press. 8. R. Kirsh...5000 L. Harris Dover, NJ 07801 2 Cnmnander Naval Surface Weapons Center 2 Commander ATTN: R. Bernecker, R-13 US Army Missile Command G.B. Wilmot , R

Selective boron delivery to murine tumors by lipophilic species incorporated in the membranes of unilamellar liposomes

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

Feakes, D.A.; Shelly, K.; Hawthorne, M.F.

1995-02-28

The nido-carborane species K[nido-7-CH{sub 3}(CH{sub 2}){sub 15}-7,8-C{sub 2}B{sub 9}H{sub 11}] has been synthesized for use as an addend for the bilayer membrane of liposomes. Small unilamellar vesicles, composed of distearoylphosphatidylcholine/cholesterol, 1:1, and incorporating K[nido-7-CH{sub 3}(CH{sub 2}){sub 15}-7,8-C{sub 2}B{sub 9}H{sub 11}] in the bilayer, have been investigated in vivo. The time-course biodistribution of boron delivered by these liposomes was determined by inductively coupled plasma-atomic emission spectroscopy analyses after the injection of liposomal suspensions in BALB/c mice bearing EMT6 mammary adenocarcinomas. At the low injected doses normally used ({approx}5-10 mg of boron per kg of body weight), peak tumor boron concentrations ofmore » {approx}35 {mu}g of boron per g of tissue and tumor/blood boron ratios of {approx}8 were achieved. These values are sufficiently high for the successful application of boron neutron capture therapy. The bilayer-embedded boron compound may provide the sole boron source or, alternatively, a concentrated aqueous solution of a hydrophilic boron compound may also be encapsulated within the liposomes to provide a dose enhancement. Thus, the incorporation of both K[nido-7-CH{sub 3}(CH{sub 2}){sub 15}-7,8-C{sub 2}B{sub 9}H{sub 11}] and the hydrophilic species, Na{sub 3}[1-(2{prime}-B{sub 10}H{sub 9})-2-NH{sub 3}B{sub 10}H{sub 8}], within the same liposomes demonstrated significantly enhanced biodistribution characteristics, exemplified by maximum tumor boron concentrations of {approx} 50 {mu}g of boron per g of tissue and tumor/blood boron ratios of {approx} 6. 18 refs., 1 fig.« less

Microstructure and Porosity of Laser Welds in Cast Ti-6Al-4V with Addition of Boron

NASA Astrophysics Data System (ADS)

Tolvanen, Sakari; Pederson, Robert; Klement, Uta

2018-03-01

Addition of small amounts of boron to cast Ti-6Al-4V alloy has shown to render a finer microstructure and improved mechanical properties. For such an improved alloy to be widely applicable for large aerospace structural components, successful welding of such castings is essential. In the present work, the microstructure and porosity of laser welds in a standard grade cast Ti-6Al-4V alloy as well as two modified alloy versions with different boron concentrations have been investigated. Prior-β grain reconstruction revealed the prior-β grain structure in the weld zones. In fusion zones of the welds, boron was found to refine the grain size significantly and rendered narrow elongated grains. TiB particles in the prior-β grain boundaries in the cast base material restricted grain growth in the heat-affected zone. The TiB particles that existed in the as cast alloys decreased in size in the fusion zones of welds. The hardness in the weld zones was higher than in the base material and boron did not have a significant effect on hardness of the weld zones. The fusion zones were smaller in the boron-modified alloys as compared with Ti-6Al-4V without boron. Computed tomography X-ray investigations of the laser welds showed that pores in the FZ of the boron modified alloys were confined to the lower part of the welds, suggesting that boron addition influences melt pool flow.

Study of boron detection limit using the in-air PIGE set-up at LAMFI-USP

NASA Astrophysics Data System (ADS)

Moro, M. V.; Silva, T. F.; Trindade, G. F.; Added, N.; Tabacniks, M. H.

2014-11-01

The quantification of small amounts of boron in materials is of extreme importance in different areas of materials science. Boron is an important contaminant and also a silicon dopant in the semiconductor industry. Boron is also extensively used in nuclear power plants, either for neutron shielding or for safety control and boron is an essential nutrient for life, either vegetable or animal. The production of silicon solar cells, by refining metallurgical-grade silicon (MG-Si) requires the control and reduction of several silicon contaminants to very low concentration levels. Boron is one of the contaminants of solar-grade silicon (SG-Si) that must be controlled and quantified at sub-ppm levels. In the metallurgical purification, boron quantification is usually made by Inductive Coupled Plasma Mass Spectrometry, (ICP-MS) but the results need to be verified by an independent analytical method. In this work we present the results of the analysis of silicon samples by Particle Induced Gamma-Ray Emission (PIGE) aiming the quantification of low concentrations of boron. PIGE analysis was carried out using the in-air external beam line of the Laboratory for Materials Analysis with Ion Beans (LAMFI-USP) by the 10B ( p ,αγ(7Be nuclear reaction, and measuring the 429 keV γ-ray. The in-air PIGE measurements at LAMFI have a quantification limit of the order of 1016 at/cm2.

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

Xu, Shao-Gang; Liao, Ji-Hai; Zhao, Yu-Jun

The unique electronic property induced diversified structure of boron (B) cluster has attracted much interest from experimentalists and theorists. B{sub 30–40} were reported to be planar fragments of triangular lattice with proper concentrations of vacancies recently. Here, we have performed high-throughput screening for possible B clusters through the first-principles calculations, including various shapes and distributions of vacancies. As a result, we have determined the structures of B{sub n} clusters with n = 30–51 and found a stable planar cluster of B{sub 49} with a double-hexagon vacancy. Considering the 8-electron rule and the electron delocalization, a concise model for the distributionmore » of the 2c–2e and 3c–2e bonds has been proposed to explain the stability of B planar clusters, as well as the reported B cages.« less

Boron-doped diamond synthesized at high-pressure and high-temperature with metal catalyst

NASA Astrophysics Data System (ADS)

Shakhov, Fedor M.; Abyzov, Andrey M.; Kidalov, Sergey V.; Krasilin, Andrei A.; Lähderanta, Erkki; Lebedev, Vasiliy T.; Shamshur, Dmitriy V.; Takai, Kazuyuki

2017-04-01

The boron-doped diamond (BDD) powder consisting of 40-100 μm particles was synthesized at 5 GPa and 1500-1600 °C from a mixture of 50 wt% graphite and 50 wt% Ni-Mn catalyst with an addition of 1 wt% or 5 wt% boron powder. The size of crystal domains of doped and non-doped diamond was evaluated as a coherent scattering region by X-ray diffraction (XRD) and using small-angle neutron scattering (SANS), being ≥180 nm (XRD) and 100 nm (SANS). Magnetic impurities of NiMnx originating from the catalyst in the synthesis, which prevent superconductivity, were detected by magnetization measurements at 2-300 K. X-ray photoelectron spectroscopy, the temperature dependence of the resistivity, XRD, and Raman spectroscopy reveal that the concentration of electrically active boron is as high as (2±1)×1020 cm-3 (0.1 at%). To the best of our knowledge, this is the highest boron content for BDD synthesized in high-pressure high-temperature process with metal catalysts.

SU-F-T-140: Assessment of the Proton Boron Fusion Reaction for Practical Radiation Therapy Applications Using MCNP6

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

Adam, D; Bednarz, B

Purpose: The proton boron fusion reaction is a reaction that describes the creation of three alpha particles as the result of the interaction of a proton incident upon a 11B target. Theoretically, the proton boron fusion reaction is a desirable reaction for radiation therapy applications in that, with the appropriate boron delivery agent, it could potentially combine the localized dose delivery protons exhibit (Bragg peak) and the local deposition of high LET alpha particles in cancerous sites. Previous efforts have shown significant dose enhancement using the proton boron fusion reaction; the overarching purpose of this work is an attempt tomore » validate previous Monte Carlo results of the proton boron fusion reaction. Methods: The proton boron fusion reaction, 11B(p, 3α), is investigated using MCNP6 to assess the viability for potential use in radiation therapy. Simple simulations of a proton pencil beam incident upon both a water phantom and a water phantom with an axial region containing 100ppm boron were modeled using MCNP6 in order to determine the extent of the impact boron had upon the calculated energy deposition. Results: The maximum dose increase calculated was 0.026% for the incident 250 MeV proton beam scenario. The MCNP simulations performed demonstrated that the proton boron fusion reaction rate at clinically relevant boron concentrations was too small in order to have any measurable impact on the absorbed dose. Conclusion: For all MCNP6 simulations conducted, the increase of absorbed dose of a simple water phantom due to the 11B(p, 3α) reaction was found to be inconsequential. In addition, it was determined that there are no good evaluations of the 11B(p, 3α) reaction for use in MCNPX/6 and further work should be conducted in cross section evaluations in order to definitively evaluate the feasibility of the proton boron fusion reaction for use in radiation therapy applications.« less

Surface Chemistry, Microstructure, and Tribological Properties of Cubic Boron Nitride Films

NASA Technical Reports Server (NTRS)

Watanabe, Shuichi; Wheeler, Donald R.; Abel, Phillip B.; Street, Kenneth W.; Miyoshi, Kazuhisa; Murakawa, Masao; Miyake, Shojiro

1998-01-01

This report deals with the surface chemistry, microstructure, bonding state, morphology, and friction and wear properties of cubic boron nitride (c-BN) films that were synthesized by magnetically enhanced plasma ion plating. Several analytical techniques - x-ray photoelectron spectroscopy, transmission electron microscopy and electron diffraction, Fourier transform infrared spectroscopy, atomic force microscopy, and surface profilometry - were used to characterize the films. Sliding friction experiments using a ball-on-disk configuration were conducted for the c-BN films in sliding contact with 440C stainless-steel balls at room temperature in ultrahigh vacuum (pressure, 10(exp -6), in ambient air, and under water lubrication. Results indicate that the boron-to-nitrogen ratio on the surface of the as-deposited c-BN film is greater than 1 and that not all the boron is present as boron nitride but a small percentage is present as an oxide. Both in air and under water lubrication, the c-BN film in sliding contact with steel showed a low wear rate, whereas a high wear rate was observed in vacuum. In air and under water lubrication, c-BN exhibited wear resistance superior to that of amorphous boron nitride, titanium nitride, and titanium carbide.

Sputtering Erosion in Ion and Plasma Thrusters

NASA Technical Reports Server (NTRS)

Ray, Pradosh K.

1996-01-01

Low energy sputtering of molybdenum, tantalum and boron nitride with xenon ions are being studied using secondary neutral and secondary ion mass spectrometry (SNMS/SIMS). An ultrahigh vacuum chamber was used to conduct the experiment at a base pressure of 1x10(exp -9) torr. The primary ion beam is generated by an ion gun which is capable of delivering ion currents in the range of 20 to 500 nA. The ion beam can be focused to a spot size of approximately 1 mm in diameter. The mass spectrometer is positioned 10 mm from the target and 90 deg to the primary ion beam direction. SNMS and SIMS spectra were collected at various incident angles and different ion energies. For boron nitride sputtering, the target was flooded with an electron beam to neutralize the charge buildup on the surface. In the SNMS mode, sputtering of Mo and Ta can be detected at an ion energy as low as 100 eV whereas in boron nitride the same was observed up to an energy of 300 eV. However, in the positive-SIMS mode, the sputtering of Mo was observed at 10 eV incident ion energy. The SIMS spectra obtained for boron nitride clearly identifies the two isotopes of boron as well as cluster ions such as B2(sup +) and molecular ions such as BN(sup +). From the angle versus yields measurements, it was found that the maximum SNMS yield shifts towards lower incident angles at low ion energies for all three samples.

From synthesis to function via iterative assembly of N-methyliminodiacetic acid boronate building blocks.

PubMed

Li, Junqi; Grillo, Anthony S; Burke, Martin D

2015-08-18

The study and optimization of small molecule function is often impeded by the time-intensive and specialist-dependent process that is typically used to make such compounds. In contrast, general and automated platforms have been developed for making peptides, oligonucleotides, and increasingly oligosaccharides, where synthesis is simplified to iterative applications of the same reactions. Inspired by the way natural products are biosynthesized via the iterative assembly of a defined set of building blocks, we developed a platform for small molecule synthesis involving the iterative coupling of haloboronic acids protected as the corresponding N-methyliminodiacetic acid (MIDA) boronates. Here we summarize our efforts thus far to develop this platform into a generalized and automated approach for small molecule synthesis. We and others have employed this approach to access many polyene-based compounds, including the polyene motifs found in >75% of all polyene natural products. This platform further allowed us to derivatize amphotericin B, the powerful and resistance-evasive but also highly toxic last line of defense in treating systemic fungal infections, and thereby understand its mechanism of action. This synthesis-enabled mechanistic understanding has led us to develop less toxic derivatives currently under evaluation as improved antifungal agents. To access more Csp(3)-containing small molecules, we gained a stereocontrolled entry into chiral, non-racemic α-boryl aldehydes through the discovery of a chiral derivative of MIDA. These α-boryl aldehydes are versatile intermediates for the synthesis of many Csp(3) boronate building blocks that are otherwise difficult to access. In addition, we demonstrated the utility of these types of building blocks in accessing pharmaceutically relevant targets via an iterative Csp(3) cross-coupling cycle. We have further expanded the scope of the platform to include stereochemically complex macrocyclic and polycyclic molecules using a linear-to-cyclized strategy, in which Csp(3) boronate building blocks are iteratively assembled into linear precursors that are then cyclized into the cyclic frameworks found in many natural products and natural product-like structures. Enabled by the serendipitous discovery of a catch-and-release protocol for generally purifying MIDA boronate intermediates, the platform has been automated. The synthesis of 14 distinct classes of small molecules, including pharmaceuticals, materials components, and polycyclic natural products, has been achieved using this new synthesis machine. It is anticipated that the scope of small molecules accessible by this platform will continue to expand via further developments in building block synthesis, Csp(3) cross-coupling methodologies, and cyclization strategies. Achieving these goals will enable the more generalized synthesis of small molecules and thereby help shift the rate-limiting step in small molecule science from synthesis to function.

Permeability and channel-mediated transport of boric acid across membrane vesicles isolated from squash roots.

PubMed

Dordas, C; Chrispeels, M J; Brown, P H

2000-11-01

Boron is an essential micronutrient for plant growth and the boron content of plants differs greatly, but the mechanism(s) of its uptake into cells is not known. Boron is present in the soil solution as boric acid and it is in this form that it enters the roots. We determined the boron permeability coefficient of purified plasma membrane vesicles obtained from squash (Cucurbita pepo) roots and found it to be 3 x 10(-7) +/-1.4 x 10(-8) cm s(-1), six times higher than the permeability of microsomal vesicles. Boric acid permeation of the plasma membrane vesicles was partially inhibited (30%-39%) by mercuric chloride and phloretin, a non-specific channel blocker. The inhibition by mercuric chloride was readily reversible by 2-mercaptoethanol. The energy of activation for boron transport into the plasma membrane vesicles was 10.2 kcal mol(-1). Together these data indicate that boron enters plant cells in part by passive diffusion through the lipid bilayer of the plasma membrane and in part through proteinaceous channels. Expression of the major intrinsic protein (MIP) PIP1 in Xenopus laevis oocytes resulted in a 30% increase in the boron permeability of the oocytes. Other MIPs tested (PIP3, MLM1, and GlpF) did not have this effect. We postulate that certain MIPs, like those that have recently been shown to transport small neutral solutes, may also be the channels through which boron enters plant cells.

Permeability and Channel-Mediated Transport of Boric Acid across Membrane Vesicles Isolated from Squash Roots1

PubMed Central

Dordas, Christos; Chrispeels, Maarten J.; Brown, Patrick H.

2000-01-01

Boron is an essential micronutrient for plant growth and the boron content of plants differs greatly, but the mechanism(s) of its uptake into cells is not known. Boron is present in the soil solution as boric acid and it is in this form that it enters the roots. We determined the boron permeability coefficient of purified plasma membrane vesicles obtained from squash (Cucurbita pepo) roots and found it to be 3 × 10−7 ±1.4 × 10−8 cm s−1, six times higher than the permeability of microsomal vesicles. Boric acid permeation of the plasma membrane vesicles was partially inhibited (30%–39%) by mercuric chloride and phloretin, a non-specific channel blocker. The inhibition by mercuric chloride was readily reversible by 2-mercaptoethanol. The energy of activation for boron transport into the plasma membrane vesicles was 10.2 kcal mol−1. Together these data indicate that boron enters plant cells in part by passive diffusion through the lipid bilayer of the plasma membrane and in part through proteinaceous channels. Expression of the major intrinsic protein (MIP) PIP1 in Xenopus laevis oocytes resulted in a 30% increase in the boron permeability of the oocytes. Other MIPs tested (PIP3, MLM1, and GlpF) did not have this effect. We postulate that certain MIPs, like those that have recently been shown to transport small neutral solutes, may also be the channels through which boron enters plant cells. PMID:11080310

Photoelectron Spectroscopy Study of [Ta2B6]-: a Hexagonal Bipyramdial Cluster

NASA Astrophysics Data System (ADS)

Jian, Tian; Li, Weili; Romanescu, Constantin; Wang, Lai-Sheng

2014-06-01

It has been a long-sought goal in cluster science to discover stable atomic clusters as building blocks for cluster-assembled nanomaterials, as exemplified by the fullerenes and their subsequent bulk syntheses.[1,2] Clusters have also been considered as models to understand bulk properties, providing a bridge between molecular and solid-state chemistry.[3] Herein we report a joint photoelectron spectroscopy and theoretical study on the [Ta2B6]- and [Ta2B6] clusters.[4] The photoelectron spectrum of [Ta2B6]- displays a simple spectral pattern and a large HOMO-LUMO gap, suggesting its high symmetry. Theoretical calculations show that both the neutral and anion are D6h pyramidal. The chemical bonding analyses for [Ta2B6] revealed the nature of the B6 and Ta interactions and uncovered strong covalent bonding between B6 and Ta. The D6h-[TaB6Ta] gaseous cluster is reminiscent of the structural pattern in the ReB6X6Re core in the [(Cp*Re)2B6H4Cl2] and the TiB6Ti motif in the newly synthesized Ti7Rh4Ir2B8 solid-state compound.[5,6] The current work provides an intrinsic link between a gaseous cluster and motifs for solid materials. Continued investigations of the transition-metal boron clusters may lead to the discovery of new structural motifs involving pure boron clusters for the design of novel boride materials. Reference [1] H.W. Kroto, J. R. Heath, S. C. OBrien, R. F. Curl, R. E. Smalley, Nature 1985, 318, 162 - 163. [2] W. Krtschmer, L. D. Lamb, K. Fostiropoulos, D. R. Huffman, Nature 1990, 347, 354 - 358. [3] T. P. Fehlner, J.-F. Halet, J.-Y. Saillard, Molecular Clusters: A Bridge to Solid-State Chemitry, Cambridge University Press, UK, 2007. [4] W. L. Li, L. Xie, T. Jian, C. Romanescu, X. Huang, L.-S. Wang, Angew. Chem. Int. Ed. 2014, 126, 1312 - 1316. [5] B. Le Guennic, H. Jiao, S. Kahlal, J.-Y. Saillard, J.-F. Halet, S. Ghosh, M. Shang, A. M. Beatty, A. L. Rheingold, T. P. Fehlner, J. Am. Chem. Soc. 2004, 126, 3203 - 3217. [6] B. P. T. Fokwa, M. Hermus, Angew. Chem. 2012, 124, 1734 - 1737; Angew. Chem. Int. Ed. 2012, 51, 1702 - 1705.

A first-principles study on the B{sub 5}O{sub 5}{sup +/0} and B{sub 5}O{sub 5}{sup −} clusters: The boron oxide analogs of C{sub 6}H{sub 5}{sup +/0} and CH{sub 3}Cl

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

Tian, Wen-Juan; You, Xue-Rui; Ou, Ting

2015-08-14

The concept of boronyl (BO) and the BO/H isolobal analogy build an interesting structural link between boron oxide clusters and hydrocarbons. Based upon global-minimum searches and first-principles electronic structural calculations, we present here the perfectly planar C{sub 2v} B{sub 5}O{sub 5}{sup +} (1, {sup 1}A{sub 1}), C{sub 2v} B{sub 5}O{sub 5} (2, {sup 2}A{sub 1}), and tetrahedral C{sub s} B{sub 5}O{sub 5}{sup −} (3, {sup 1}A′) clusters, which are the global minima of the systems. Structural and molecular orbital analyses indicate that C{sub 2v} B{sub 5}O{sub 5}{sup +} (1) [B{sub 3}O{sub 3}(BO){sub 2}{sup +}] and C{sub 2v} B{sub 5}O{sub 5}more » (2) [B{sub 3}O{sub 3}(BO){sub 2}] feature an aromatic six-membered boroxol (B{sub 3}O{sub 3}) ring as the core with two equivalent boronyl terminals, similar to the recently reported boronyl boroxine D{sub 3h} B{sub 6}O{sub 6} [B{sub 3}O{sub 3}(BO){sub 3}]; whereas C{sub s} B{sub 5}O{sub 5}{sup −} (3) [B(BO){sub 3}(OBO){sup −}] is characterized with a tetrahedral B{sup −} center, terminated with three BO groups and one OBO unit, similar to the previously predicted boronyl methane T{sub d} B{sub 5}O{sub 4}{sup −} [B(BO){sub 4}{sup −}]. Alternatively, the 1–3 clusters can be viewed as the boron oxide analogs of phenyl cation C{sub 6}H{sub 5}{sup +}, phenyl radical C{sub 6}H{sub 5}, and chloromethane CH{sub 3}Cl, respectively. Chemical bonding analyses also reveal a dual three-center four-electron (3c-4e) π hyperbond in C{sub s} B{sub 5}O{sub 5}{sup −} (3). The infrared absorption spectra of B{sub 5}O{sub 5}{sup +} (1), B{sub 5}O{sub 5} (2), and B{sub 5}O{sub 5}{sup −} (3) and anion photoelectron spectrum of B{sub 5}O{sub 5}{sup −} (3) are predicted to facilitate their forthcoming experimental characterizations. The present work completes the B{sub n}O{sub n}{sup +/0/−} series for n = 1–6 and enriches the analogous relationship between boron oxides and hydrocarbons.« less

Hole polarons and p -type doping in boron nitride polymorphs

NASA Astrophysics Data System (ADS)

Weston, L.; Wickramaratne, D.; Van de Walle, C. G.

2017-09-01

Boron nitride polymorphs hold great promise for integration into electronic and optoelectronic devices requiring ultrawide band gaps. We use first-principles calculations to examine the prospects for p -type doping of hexagonal (h -BN ), wurtzite (w z -BN ), and cubic (c -BN ) boron nitride. Group-IV elements (C, Si) substituting on the N site result in a deep acceptor, as the atomic levels of the impurity species lie above the BN valence-band maximum. On the other hand, group-II elements (Be, Mg) substituting on the B site do not give impurity states in the band gap; however, these dopants lead to the formation of small hole polarons. The tendency for polaron formation is far more pronounced in h -BN compared to w z -BN or c -BN . Despite forming small hole polarons, Be acceptors enable p -type doping, with ionization energies of 0.31 eV for w z -BN and 0.24 eV for c -BN ; these values are comparable to the Mg ionization energy in GaN.

Morphological transformations of BNCO nanomaterials: Role of intermediates

NASA Astrophysics Data System (ADS)

Wang, B. B.; Qu, X. L.; Zhu, M. K.; Levchenko, I.; Baranov, O.; Zhong, X. X.; Xu, S.; Ostrikov, K.

2018-06-01

Highly controllable structural transformation of various doped carbon and boron nitride nanomaterials have been achieved with the perspective of their application in microelectronics, optoelectronics, energy devices and catalytic reactions. Specifically, the syntheses of one-dimensional (1D) boron and nitrogen co-doped tube-like carbon nanorods and 2D vertical carbon and oxygen co-doped boron nitride nanosheets on silicon coated with gold films in N2-H2 plasma was demonstrated. During the synthesis of nanomaterials, boron carbide was used as carbon and boron sources. The results of characterizations by scanning and transmission electron microscopes, as well as micro-Raman and X-ray photoelectron spectroscopes indicate that the formation of different nanomaterials relates to the growth temperature and quantity of boron carbide. Specifically, 1D tube-like carbon nanorods doped with boron and nitrogen are formed at ∼910 °C using a small quantity of boron carbide, while 2D vertical boron nitride nanosheets doped with carbon and oxygen are grown at ∼870 °C using a large quantity of boron carbide. These studies indicate that the behaviors of a reactive intermediate product B2O3 on surfaces of Au nanoparticles play an important role in the formation of different nanomaterials, i.e., whether the B2O3 molecules deposited on Au nanoparticles are desorbed mainly determines the formation of different nanomaterials. The formation of 2D vertical carbon and oxygen co-doped boron nitride nanosheets is related to the high growth rate of edges of nanosheets. Furthermore, the photoluminescence (PL) properties of 1D boron and nitrogen co-doped tube-like carbon nanorods and 2D vertical carbon and oxygen co-doped boron nitride nanosheets were studied at room temperature. The PL results show that all the nanomaterials generate the ultraviolet, blue, green and red PL bands, but the 2D vertical carbon and oxygen co-doped boron nitride nanosheets emit more and stronger PL bands than the 1D boron and nitrogen co-doped tube-like carbon nanorods. The significant differences in the PL properties can be attributed to different carbon structures in these nanomaterials. These achievements can be used to synthesize and control the structures of nanomaterials and contribute to the development of the next generation optoelectronic nanodevices based on 1D and 2D nanomaterials.

Composition formulas of binary eutectics

PubMed Central

Ma, Y. P.; Dong, D. D.; Dong, C.; Luo, L. J.; Wang, Q.; Qiang, J. B.; Wang, Y. M.

2015-01-01

The present paper addresses the long-standing composition puzzle of eutectic points by introducing a new structural tool for the description of short-range-order structural unit, the cluster-plus-glue-atom model. In this model, any structure is dissociated into a 1st-neighbor cluster and a few glue atoms between the clusters, expressed by a cluster formula [cluster]gluex. This model is applied here to establish the structural model for eutectic liquids, assuming that a eutectic liquid consist of two subunits issued from the relevant eutectic phases, each being expressed by the cluster formula for ideal metallic glasses, i.e., [cluster](glue atom)1 or 3. A structural unit is then composed of two clusters from the relevant eutectic phases plus 2, 4, or 6 glue atoms. Such a dual cluster formulism is well validated in all boron-containing (except those located by the extreme phase diagram ends) and in some commonly-encountered binary eutectics, within accuracies below 1 at.%. The dual cluster formulas vary extensively and are rarely identical even for eutectics of close compositions. They are generally formed with two distinctly different cluster types, with special cluster matching rules such as cuboctahedron plus capped trigonal prism and rhombidodecahedron plus octahedral antiprism. PMID:26658618

Efficient Enrichment and Analysis of Vicinal-Diol-Containing Flavonoid Molecules Using Boronic-Acid-Functionalized Particles and Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry.

PubMed

Kim, Eunjin; Kang, Hyunook; Choi, Insung; Song, Jihyeon; Mok, Hyejung; Jung, Woong; Yeo, Woon-Seok

2018-05-09

Detection and quantitation of flavonoids are relatively difficult compared to those of other small-molecule analytes because flavonoids undergo rapid metabolic processes, resulting in their elimination from the body. Here, we report an efficient enrichment method for facilitating the analysis of vicinal-diol-containing flavonoid molecules using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. In our strategy, boronic-acid-functionalized polyacrylamide particles were used, where boronic acids bound to vicinal diols to form boronate monoesters at basic pH. This complex remained intact during the enrichment processes, and the vicinal-diol-containing flavonoids were easily separated by centrifugation and subsequent acidic treatments. The selectivity and limit of detection of our strategy were confirmed by mass spectrometry analysis, and the validity was assessed by performing the detection and quantitation of quercetin in mouse organs.

Evaluation of genotoxic and antigenotoxic effects of boron by the somatic mutation and recombination test (SMART) on Drosophila.

PubMed

Sarıkaya, Rabia; Erciyas, Kamile; Kara, Muhammed Isa; Sezer, Ufuk; Erciyas, Ali Fuat; Ay, Sinan

2016-10-01

In this study, different concentrations of boron have been evaluated for genotoxic and antigenotoxic properties by using the somatic mutation and recombination test (SMART) on Drosophila melanogaster. The treatment concentrations were chosen to a pretest. Third-instar larvae trans-heterozygous for two genetic markers, multiple wing hair (mwh) and flare (flr3), were treated at different concentrations (0.1, 5, 10, 20, and 40 mg/mL) of boron. In addition to investigating antigenotoxic effects, the same boron concentrations were co-administered with 0.1 mM Ethyl Methane Sulfonate (EMS). Distilled water was used as a negative control; 0.1 mM of EMS was used as a positive control. For the chronic feeding study, small plastic vials were prepared with 1.5 g of dry Drosophila Instant Medium and 5 mL of the respective test solution. Hundreds of trans-heterozygous larvae were embedded into this medium. Feeding ended with pupation of the surviving larvae. After metamorphosis, all surviving flies were collected and stored in a 70% ethanol solution. Preparation and microscopic analyses of wing were made after the treatment. Then the observed mutations were classified according to size and type of mutation per wing. Results indicated that there is no significant genotoxic effect with all of the boron concentrations. In addition, the antigenotoxic activities of boron against EMS were tested. Results indicated that all boron concentrations (0.1, 5, 10, 20 and 40 mg/mL) were able to abolish the genotoxic effects induced by the EMS. It is suggested that the observed effects can be linked to the antioxidant properties of boron. Moreover, these in vivo results will contribute to the antigenotoxicity database of boron.

Evaluation of a metal shear web selectively reinforced with filamentary composites for space shuttle application. Phase 1 summary report: Shear web design development

NASA Technical Reports Server (NTRS)

Laakso, J. H.; Zimmerman, D. K.

1972-01-01

An advanced composite shear web design concept was developed for the Space Shuttle orbiter main engine thrust beam structure. Various web concepts were synthesized by a computer-aided adaptive random search procedure. A practical concept is identified having a titanium-clad + or - 45 deg boron/epoxy web plate with vertical boron/epoxy reinforced aluminum stiffeners. The boron-epoxy laminate contributes to the strength and stiffness efficiency of the basic web section. The titanium-cladding functions to protect the polymeric laminate parts from damaging environments and is chem-milled to provide reinforcement in selected areas. Detailed design drawings are presented for both boron/epoxy reinforced and all-metal shear webs. The weight saving offered is 24% relative to all-metal construction at an attractive cost per pound of weight saved, based on the detailed designs. Small scale element tests substantiate the boron/epoxy reinforced design details in critical areas. The results show that the titanium-cladding reliably reinforces the web laminate in critical edge load transfer and stiffener fastener hole areas.

Superconductivity in diamond.

PubMed

Ekimov, E A; Sidorov, V A; Bauer, E D; Mel'nik, N N; Curro, N J; Thompson, J D; Stishov, S M

2004-04-01

Diamond is an electrical insulator well known for its exceptional hardness. It also conducts heat even more effectively than copper, and can withstand very high electric fields. With these physical properties, diamond is attractive for electronic applications, particularly when charge carriers are introduced (by chemical doping) into the system. Boron has one less electron than carbon and, because of its small atomic radius, boron is relatively easily incorporated into diamond; as boron acts as a charge acceptor, the resulting diamond is effectively hole-doped. Here we report the discovery of superconductivity in boron-doped diamond synthesized at high pressure (nearly 100,000 atmospheres) and temperature (2,500-2,800 K). Electrical resistivity, magnetic susceptibility, specific heat and field-dependent resistance measurements show that boron-doped diamond is a bulk, type-II superconductor below the superconducting transition temperature T(c) approximately 4 K; superconductivity survives in a magnetic field up to Hc2(0) > or = 3.5 T. The discovery of superconductivity in diamond-structured carbon suggests that Si and Ge, which also form in the diamond structure, may similarly exhibit superconductivity under the appropriate conditions.

Enhanced adsorption of Co atoms on grain boundary of boron nitride

NASA Astrophysics Data System (ADS)

Zhang, Tingting; Chen, Guibin; Zhu, Liyan

2017-11-01

Structural, energetic, electronic, and magnetic properties of Co monomer, dimer, and trimer adsorbed on a single-layer boron nitride (BN) with a grain boundary (GB) consisting of tetragons and octagons ( 4|8) are theoretically explored via density functional calculations. Due to the presence of 4|8 GB, the adsorption energies (EAs) of small Co clusters are generally enhanced by 10% as compared with those adsorbed on pristine BN, e.g., the EA of Co monomer, and dimer increase by 0.1 eV on a global amount of 0.87 eV, and 0.2 eV for the case of Co trimer. Most interestingly, the increase in adsorption energy exhibits a strong correlation to the number of atoms directly bonded to the substrate. The enhanced binding of Co adatom on the BN with 4|8 GBs ( BN 48 ) is due to the strong hybridization of d orbitals of Co adatom and the localized defect states at the 4|8 GBs. However, the GBs have negligible influence on the electronic and magnetic properties of adsorbates. Hence, the two-dimensional (2D) nanosheets with linear GBs might be a better candidate for anchoring the transition metal atoms than pristine BN. Such a strategy may also be applied to other 2D materials, e.g., MoS2 and phosphorene, to enhance the binding of adatom on them, or to utilize them as 1D templates to assemble transition metal atoms into nanowires.

Invited Article: Indenter materials for high temperature nanoindentation

NASA Astrophysics Data System (ADS)

Wheeler, J. M.; Michler, J.

2013-10-01

As nanoindentation at high temperatures becomes increasingly popular, a review of indenter materials for usage at high temperatures is instructive for identifying appropriate indenter-sample materials combinations to prevent indenter loss or failure due to chemical reactions or wear during indentation. This is an important consideration for nanoindentation as extremely small volumes of reacted indenter material will have a significant effect on measurements. The high temperature hardness, elastic modulus, thermal properties, and chemical reactivities of diamond, boron carbide, silicon carbide, tungsten carbide, cubic boron nitride, and sapphire are discussed. Diamond and boron carbide show the best elevated temperature hardness, while tungsten carbide demonstrates the lowest chemical reactivity with the widest array of elements.

Boron epoxy rocket motor case program

NASA Technical Reports Server (NTRS)

Stang, D. A.

1971-01-01

Three 28-inch-diameter solid rocket motor cases were fabricated using 1/8 inch wide boron/epoxy tape. The cases had unequal end closures (4-1/8-inch-diameter forward flanges and 13-inch-diameter aft flanges) and metal attachment skirts. The flanges and skirts were titanium 6Al-4V alloy. The original design for the first case was patterned after the requirements of the Applications Technology Satellite apogee kick motor. The second and third cases were designed and fabricated to approximate the requirements of a small Applications Technology Satellite apogee kick motor. The program demonstrated the feasibility of designing and fabricating large-scale filament-wound solid propellant rocket motor cases with boron/epoxy tape.

Boron Nitride Nanoribbons from Exfoliation of Boron Nitride Nanotubes

NASA Technical Reports Server (NTRS)

Hung, Ching-Cheh; Hurst, Janet; Santiago, Diana

2017-01-01

Two types of boron nitride nanotubes (BNNTs) were exfoliated into boron nitride nanoribbons (BNNR), which were identified using transmission electron microscopy: (1) commercial BNNTs with thin tube walls and small diameters. Tube unzipping was indicated by a large decrease of the sample's surface area and volume for pores less than 2 nm in diameter. (2) BNNTs with large diameters and thick walls synthesized at NASA Glenn Research Center. Here, tube unraveling was indicated by a large increase in external surface area and pore volume. For both, the exfoliation process was similar to the previous reported method to exfoliate commercial hexagonal boron nitride (hBN): Mixtures of BNNT, FeCl3, and NaF (or KF) were sequentially treated in 250 to 350 C nitrogen for intercalation, 500 to 750 C air for exfoliation, and finally HCl for purification. Property changes of the nanosized boron nitride throughout this process were also similar to the previously observed changes of commercial hBN during the exfoliation process: Both crystal structure (x-ray diffraction data) and chemical properties (Fourier-transform infrared spectroscopy data) of the original reactant changed after intercalation and exfoliation, but most (not all) of these changes revert back to those of the reactant once the final, purified products are obtained.

Novel Hyaluronan Formulation Enhances the Efficacy of Boron Neutron Capture Therapy for Murine Mesothelioma.

PubMed

Sasai, Masao; Nakamura, Hiroyuki; Sougawa, Nagako; Sakurai, Yoshinori; Suzuki, Minoru; Lee, Chun Man

2016-03-01

Malignant pleural mesothelioma (MPM) is a refractory cancer of the pleura caused by asbestos exposure. MPM is difficult to treat because it easily disseminates. Boron neutron capture therapy (BNCT) is a radiotherapy in which cancer cells that selectively take up (10)Boron-containing compounds are destroyed, and normal cells are uninjured. Hyaluronan (HA) is a ligand of cluster of differentiation 44 (CD44), that is expressed on MPM cells. In order to enhance BNCT for MPM tumors, we developed a novel HA-containing (10)B (sodium borocaptate: BSH) formulation (HA-BND-S). We examined the efficacy of HA-BND-S using MPM cells and a mouse MPM model. HA-BND-S preferentially bound MPM cells dose-dependently, and increased the cytotoxicity of BNCT compared to BSH in vitro. HA-BND-S administration significantly increased the survival of MPM tumor-bearing mice compared to BSH at the same (10)B dosage in BNCT. Modifying BSH with HA is a promising strategy for enhancing the efficacy of BNCT for therapy of MPM. Copyright© 2016 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

Reduction in number of crystal defects in a p+Si diffusion layer by germanium and boron cryogenic implantation combined with sub-melt laser spike annealing

NASA Astrophysics Data System (ADS)

Murakoshi, Atsushi; Harada, Tsubasa; Miyano, Kiyotaka; Harakawa, Hideaki; Aoyama, Tomonori; Yamashita, Hirofumi; Kohyama, Yusuke

2017-09-01

To reduce the number of crystal defects in a p+Si diffusion layer by a low-thermal-budget annealing process, we have examined crystal recovery in the amorphous layer formed by the cryogenic implantation of germanium and boron combined with sub-melt laser spike annealing (LSA). The cryogenic implantation at -150 °C is very effective in suppressing vacancy clustering, which is advantageous for rapid crystal recovery during annealing. The crystallinity after LSA is shown to be very high and comparable to that after rapid thermal annealing (RTA) owing to the cryogenic implantation, although LSA is a low-thermal-budget annealing process that can suppress boron diffusion effectively. It is also shown that in the p+Si diffusion layer, there is high contact resistance due to the incomplete formation of a metal silicide contact, which originates from insufficient outdiffusion of surface contaminants such as fluorine. To widely utilize the marked reduction in the number of crystal defects, sufficient removal of surface contaminants will be required in the low-thermal-budget process.

Novel Composite Proton Exchange Membrane with Connected Long-Range Ionic Nanochannels Constructed via Exfoliated Nafion-Boron Nitride Nanocomposite.

PubMed

Jia, Wei; Tang, Beibei; Wu, Peiyi

2017-05-03

Nafion-boron nitride (NBN) nanocomposites with a Nafion-functionalized periphery are prepared via a convenient and ecofriendly Nafion-assisted water-phase exfoliation method. Nafion and the boron nitride nanosheet present strong interactions in the NBN nanocomposite. Then the NBN nanocomposites were blended with Nafion to prepare NBN Nafion composite proton exchange membranes (PEMs). NBN nanocomposites show good dispersibility and have a noticeable impact on the aggregation structure of the Nafion matrix. Connected long-range ionic nanochannels containing exaggerated (-SO 3 - ) n ionic clusters are constructed during the membrane-forming process via the hydrophilic and H-bonding interactions between NBN nanocomposites and Nafion matrix. The addition of NBN nanocomposites with sulfonic groups also provides additional proton transportation spots and enhances the water uptake of the composite PEMs. The proton conductivity of the NBN Nafion composite PEMs is significantly increased under various conditions relative to that of recast Nafion. At 80 °C-95% relative humidity, the proton conductivity of 0.5 NBN Nafion is 0.33 S·cm -1 , 6 times that of recast Nafion under the same conditions.

Face-capping μ3-BO in B6(BO)7-: boron oxide analogue of B6H7- with rhombic 4c-2e bonds.

PubMed

Guo, Jin-Chang; Lu, Hai-Gang; Zhai, Hua-Jin; Li, Si-Dian

2013-11-14

Using the first-principle approaches, we predict a B6(BO)7(-) cluster with a face-capping μ(3)-BO, which is the boron oxide analogue of closo-B6H7(-) with a face-capping μ(3)-H. Detailed topological analysis of electron density clearly reveals the existence of three rhombic 4c-2e bonds around the B/H apex in both C3v B6(BO)7(-) and C3v B6H7(-), which possesses similar electron densities at their bond and ring critical points. The adaptive natural density partitioning (AdNDP) analysis provides a direct and visual picture of the B-B-B-B/H 4c-2e bonds for the first time. Adiabatic and vertical electron detachment energies of the concerned monoanions are calculated to facilitate their future photoelectron spectroscopy measurements and characterizations. The presence of the B6(BO)7(-) and B6H7(-) clusters extends the BO/H isolobal analogy to the whole μ(n)-BO/H series (n = 1, 2, and 3) and enriches the chemistry of boronyl.

Ionic-liquid mediated olefin hydroboration and heteroatom insertion reactions, and the development of template routes to non-oxide ceramic nano- and micro-structures

NASA Astrophysics Data System (ADS)

Kusari, Upal

The goal of the work described in this dissertation was two-fold: (1) To use the unique properties of ionic liquids to develop new synthetic routes to boron-containing molecules including substituted decaboranes, ortho-carboranes and chalcogeno-boranes, and (2) to combine newly developed chemical precursors with template routes to fabricate the non-oxide ceramics boron carbide, silicon carbide and boron nitride on the micro- and nano-scales. The first application of ionic liquid and related salt systems to the hydroboration of a variety of olefins with the polyborane cage B10H 14, leading to the syntheses of functionalized decaborane clusters, 6-R-B10H13, was demonstrated. The decaborane olefin-hydroboration reaction was found to proceed with a wide variety of functional olefins, including, alkenyl, halide, phenyl, ether, ester, pinacolborane, ketone and alcohol-containing olefins. These reactions provide a general, simple, one-pot and high-yield alternative route to functional boranes. The functional decaboranes were then converted by another ionic liquid mediated reaction, to its ortho -carborane derivatives 3-R-1,2-Et2C2B 10H9. Experimental and computational studies of the hydroboration mechanism suggest that the ionic liquid induced the formation of the B 10H13- anion which behaved as an electrophile in the olefin-hydroboration reaction. The unique properties of ionic liquids were also found to be useful in mediating the insertion of chalcogen heteroatoms into the borane clusters nido-B10H14, nido-5,6-C2B8H12 and arachno -4-CB8H14 and led to the improved syntheses of the known compounds nido-7-SB10H12, nido-7-SeB10H12, nido-7,9,10-SC 2B8H10, nido-7,9,10-SeC 2B8H10 and arachno-6,9-CSB 8H12, as well as the synthesis of the new 10-vertex selena-monocarbaborane arachno-6,9-CSeB8H12 (˜40% yield). The second part of the thesis demonstrated that newly developed chemical precursors can be used in conjunction with silica bead and diatom frustule templates to generate highly uniform, nanoporous layered materials and 3-D, free-standing nano- and micro-structures of boron carbide, boron nitride and silicon carbide. The retention of structural features on the micron and nanometer length scales, allowed the fabrication of advanced materials with a range of potential applications, as shown by the production of a SiC/BN-microbasket composite using the frustule template-derived boron nitride replicas.

Effective binding of perhalogenated closo-borates to serum albumins revealed by spectroscopic and ITC studies

NASA Astrophysics Data System (ADS)

Kuperman, Marina V.; Losytskyy, Mykhaylo Yu.; Bykov, Alexander Yu.; Yarmoluk, Sergiy M.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Varzatskii, Oleg A.; Gumienna-Kontecka, Elzbieta; Kovalska, Vladyslava B.

2017-08-01

The interactions of boron cluster compounds closo-borates with biomolecules are widely studied due to their efficiency as agents for boron neutron capture therapy of cancer. In present work the binding abilities of anionic halogen closo-borates [B10Hal10]2- (Hal = Cl, Br, I) and [B12Hal12]2- (Hal = Cl, I) towards bovine and human serum albumins were investigated by spectroscopic and isothermal titration calorimetry (ITC) methods. The protein fluorescence quenching method and ITC studies confirmed the complex formation. The degree of protein fluorescence quenching increased from chlorine to iodine boron derivatives that is attributed to external heavy atom effect. The ITC data point on the existence in the protein structure of two types of binding sites: with higher and lower affinity to closo-borates. Albumin-closo-borate complex binding ratio, n (4-5 anions per protein molecule) is higher than for the parent hydrogen closo-borates (2 anions per protein molecule). Binding constants estimated by fluorescent and ITC methods indicate higher affinity of halogen closo-borates to albumins (K in the range of 104-106 M-1) comparing to that of the hydrogen closo-borate (K about 103 M-1). Due to their high affinity and high binding ratio to albumins halogen closo-borates are proposed for further studies as agents for boron neutron capture therapy.

A comparison of the COG and MCNP codes in computational neutron capture therapy modeling, Part I: boron neutron capture therapy models.

PubMed

Culbertson, C N; Wangerin, K; Ghandourah, E; Jevremovic, T

2005-08-01

The goal of this study was to evaluate the COG Monte Carlo radiation transport code, developed and tested by Lawrence Livermore National Laboratory, for neutron capture therapy related modeling. A boron neutron capture therapy model was analyzed comparing COG calculational results to results from the widely used MCNP4B (Monte Carlo N-Particle) transport code. The approach for computing neutron fluence rate and each dose component relevant in boron neutron capture therapy is described, and calculated values are shown in detail. The differences between the COG and MCNP predictions are qualified and quantified. The differences are generally small and suggest that the COG code can be applied for BNCT research related problems.

Thermodynamic Analysis of the Selectivity Enhancement Obtained by Using Smart Hydrogels That Are Zwitterionic When Detecting Glucose With Boronic Acid Moieties

PubMed Central

Horkay, F.; Cho, S. H.; Tathireddy, P.; Rieth, L.; Solzbacher, F.; Magda, J.

2011-01-01

Because the boronic acid moiety reversibly binds to sugar molecules and has low cytotoxicity, boronic acid-containing hydrogels are being used in a variety of implantable glucose sensors under development, including sensors based on optical, fluorescence, and swelling pressure measurements. However, some method of glucose selectivity enhancement is often necessary, because isolated boronic acid molecules have a binding constant with glucose that is some forty times smaller than their binding constant with fructose, the second most abundant sugar in the human body. In many cases, glucose selectivity enhancement is obtained by incorporating pendant tertiary amines into the hydrogel network, thereby giving rise to a hydrogel that is zwitterionic at physiological pH. However, the mechanism by which incorporation of tertiary amines confers selectivity enhancement is poorly understood. In order to clarify this mechanism, we use the osmotic deswelling technique to compare the thermodynamic interactions of glucose and fructose with a zwitterionic smart hydrogel containing boronic acid moieties. We also investigate the change in the structure of the hydrogel that occurs when it binds to glucose or to fructose using the technique of small angle neutron scattering. PMID:22190765

Synthesis of nanoscale magnesium diboride powder

NASA Astrophysics Data System (ADS)

Finnemore, D. K.; Marzik, J. V.

2015-12-01

A procedure has been developed for the preparation of small grained magnesium diboride (MgB2) powder by reacting nanometer size boron powder in a magnesium vapor. Plasma synthesized boron powder that had particle sizes ranging from 20 to 300nm was mixed with millimeter size chunks of Mg by rolling stoichiometric amounts of the powders in a sealed cylindrical container under nitrogen gas. This mixture then was placed in a niobium reaction vessel, evacuated, and sealed by e-beam welding. The vessel was typically heated to approximately 830°C for several hours. The resulting MgB2 particles have a grain size in the 200 nm to 800 nm range. Agglomerates of loosely bound particles could be broken up by light grinding in a mortar and pestle. At 830°C, many particles are composed of several grains grown together so that the average particle size is about twice the average grain size. Experiments were conducted primarily with undoped boron powder, but carbon-doped boron powder showed very similar results.

Electrochemical capacitance voltage measurements in highly doped silicon and silicon-germanium alloys

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

Sermage, B.; Essa, Z.; Taleb, N.

2016-04-21

The electrochemical capacitance voltage technique has been used on highly boron doped SiGe and Si layers. Although the boron concentration is constant over the space charge depth, the 1/C{sup 2} versus voltage curves are not linear. They indeed present a negative curvature. This can be explained by the existence of deep acceptors which ionise under a high electric field (large inverse voltage) and not at a low inverse voltage. The measured doping concentration in the electrochemical capacitance voltage increases strongly as the inverse voltage increases. Thanks to a comparison with the boron concentration measured by secondary ions mass spectrometry, wemore » show that the relevant doping concentrations in device layers are obtained for small inverse voltage in agreement with the existence of deep acceptors. At the large inverse voltage, the measured doping can be more than twice larger than the boron concentration measured with a secondary ion mass spectroscopy.« less

Covalent functionalization of octagraphene with magnetic octahedral B6- and non-planar C6- clusters

NASA Astrophysics Data System (ADS)

Chigo-Anota, E.; Cárdenas-Jirón, G.; Salazar Villanueva, M.; Bautista Hernández, A.; Castro, M.

2017-10-01

The interaction between the magnetic boron octahedral (B6-) and non-planar (C6-) carbon clusters with semimetal nano-sheet of octa-graphene (C64H24) in the gas phase is studied by means of DFT calculations. These results reveal that non-planar-1 (anion) carbon cluster exhibits structural stability, low chemical reactivity, magnetic (1.0 magneton bohr) and semiconductor behavior. On the other hand, there is chemisorption phenomena when the stable B6- and C6- clusters are absorbed on octa-graphene nanosheets. Such absorption generates high polarity and the low-reactivity remains as on the individual pristine cases. Electronic charge transference occurs from the clusters toward the nanosheets, producing a reduction of the work function for the complexes and also induces a magnetic behavior on the functionalized sheets. The quantum descriptors obtained for these systems reveal that they are feasible candidates for the design of molecular circuits, magnetic devices, and nano-vehicles for drug delivery.

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

Zinin, Pavel V.; Burgess, Katherine; Jia, Ruth

Dense BC{sub x} phases with high boron concentration are predicted to be metastable, superhard, and conductors or superconductors depending on boron concentration. However, up to this point, diamond-like boron rich carbides BC{sub x} (dl-BC{sub x}) phases have been thought obtainable only through high pressure and high temperature treatment, necessitating small specimen volume. Here, we use electron energy loss spectroscopy combined with transmission electron microscopy, Raman spectroscopy, surface Brillouin scattering, laser ultrasonics (LU) technique, and analysis of elastic properties to demonstrate that low pressure synthesis (chemical vapor deposition) of BC{sub x} phases may also lead to the creation of diamond-like boronmore » rich carbides. The elastic properties of the dl-BC{sub x} phases depend on the carbon sp²versus sp³ content, which decreases with increasing boron concentration, while the boron bonds determine the shape of the Raman spectra of the dl-BC{sub x} after high pressure-high temperature treatment. Using the estimation of the density value based on the sp³ fraction, the shear modulus μ of dl-BC₄, containing 10% carbon atoms with sp³ bonds, and dl-B₃C₂, containing 38% carbon atoms with sp³ bonds, were found to be μ = 19.3 GPa and μ = 170 GPa, respectively. The presented experimental data also imply that boron atoms lead to a creation of sp³ bonds during the deposition processes.« less

Practical calculation method to estimate the absolute boron concentration in tissues using 18F-FBPA PET.

PubMed

Watabe, Tadashi; Hanaoka, Kohei; Naka, Sadahiro; Kanai, Yasukazu; Ikeda, Hayato; Aoki, Masanao; Shimosegawa, Eku; Kirihata, Mitsunori; Hatazawa, Jun

2017-07-01

The purpose of this study was to establish a practical method to estimate the absolute boron concentrations in the tissues based on the standardized uptake values (SUVs) after administration of 4-borono-phenylalanine (BPA) using 4-borono-2- 18 F-fluoro-phenylalanine ( 18 F-FBPA) PET. Rat xenograft models of C6 glioma (n = 7, body weight 241 ± 28.0 g) were used for the study. PET was performed 60 min after intravenous injection of 18 F-FBPA (30.5 ± 0.7 MBq). After the PET scanning, BPA-fructose (167.3 ± 18.65 mg/kg) was administered by slow intravenous injection to the same subjects. The rats were killed 60 min after the BPA injection and tissue samples were collected from the major organs and tumors. The absolute boron concentrations (unit: ppm) in the samples were measured by inductively coupled plasma optical emission spectrometry (ICP-OES). The boron concentrations in the tissues/tumors were also estimated from the 18 F-FBPA PET images using the following formula: estimated absolute boron concentration (ppm) = 0.0478 × [BPA dose (mg/kg)] × SUV. The measured absolute boron concentrations (mBC) by ICP-OES and the estimated boron concentrations (eBC) from the PET images were compared. The percent difference between the mBC and eBC calculated based on the SUV max was -5.2 ± 21.1% for the blood, -9.4 ± 22.3% for the brain, 1.6 ± 21.3% for the liver, -14.3 ± 16.8% for the spleen, -9.5 ± 27.5% for the pancreas, and 3.4 ± 43.2% for the tumor. Relatively large underestimation was observed for the lung (-48.4 ± 16.2%), small intestine (-37.8 ± 19.3%) and large intestine (-33.9 ± 11.0%), due to the partial volume effect arising from the air or feces contained in these organs. In contrast, relatively large overestimation was observed for the kidney (34.3 ± 29.3%), due to the influence of the high uptake in urine. The absolute boron concentrations in tissues/tumors can be estimated from the SUVs on 18 F-FBPA PET using a practical formula. Caution must be exercised in interpreting the estimated boron concentrations in the lung, small intestine and large intestine, to prevent the adverse effects of overexposure, which could occur due to underestimation by partial volume effect using PET.

Characterizing pharmaceutical, personal care product, and hormone contamination in a karst aquifer of southwestern Illinois, USA, using water quality and stream flow parameters.

PubMed

Dodgen, L K; Kelly, W R; Panno, S V; Taylor, S J; Armstrong, D L; Wiles, K N; Zhang, Y; Zheng, W

2017-02-01

Karst aquifers are drinking water sources for 25% of the global population. However, the unique geology of karst areas facilitates rapid transfer of surficial chemicals to groundwater, potentially contaminating drinking water. Contamination of karst aquifers by nitrate, chloride, and bacteria have been previously observed, but little knowledge is available on the presence of contaminants of emerging concern (CECs), such as pharmaceuticals. Over a 17-month period, 58 water samples were collected from 13 sites in the Salem Plateau, a karst region in southwestern Illinois, United States. Water was analyzed for 12 pharmaceutical and personal care products (PPCPs), 7 natural and synthetic hormones, and 49 typical water quality parameters (e.g., nutrients and bacteria). Hormones were detected in only 23% of samples, with concentrations of 2.2-9.1ng/L. In contrast, PPCPs were quantified in 89% of groundwater samples. The two most commonly detected PPCPs were the antimicrobial triclocarban, in 81% of samples, and the cardiovascular drug gemfibrozil, in 57%. Analytical results were combined with data of local stream flow, weather, and land use to 1) characterize the extent of aquifer contamination by CECs, 2) cluster sites with similar PPCP contamination profiles, and 3) develop models to describe PPCP contamination. Median detection in karst groundwater was 3 PPCPs at a summed concentration of 4.6ng/L. Sites clustered into 3 subsets with unique contamination models. PPCP contamination in Cluster I sites was related to stream height, manganese, boron, and heterotrophic bacteria. Cluster II sites were characterized by groundwater temperature, specific conductivity, sodium, and calcium. Cluster III sites were characterized by dissolved oxygen and barium. Across all sites, no single or small set of water quality factors was significantly predictive of PPCP contamination, although gemfibrozil concentrations were strongly related to the sum of PPCPs in karst groundwater. Copyright © 2016 Elsevier B.V. All rights reserved.

7. Credit BG. View looking west into small solid rocket ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

7. Credit BG. View looking west into small solid rocket motor testing bay of Test Stand 'E' (Building 4259/E-60). Motors are mounted on steel table and fired horizontally toward the east. - Jet Propulsion Laboratory Edwards Facility, Test Stand E, Edwards Air Force Base, Boron, Kern County, CA

Theoretical investigations of open-shell systems: 1. Spectral simulation of the 2s(2)p(2) (2)D <- 2s(2)2p (2)P(o) valence transition in the boron diargon cluster, and 2. Quantum Monte Carlo calculations of boron in solid molecular hydrogen

NASA Astrophysics Data System (ADS)

Krumrine, Jennifer Rebecca

This dissertation is concerned in part with the construction of accurate pairwise potentials, based on reliable ab initio potential energy surfaces (PES's), which are fully anisotropic in the sense that multiple PES's are accessible to systems with orientational electronic properties. We have carried out several investigations of B (2s 22p 2Po) with spherical ligands: (1)an investigation of the electronic spectrum of the BAr2 complex and (2)two related studies of the equilibrium properties and spectral simulation of B embedded in solid pH 2. Our investigations suggest that it cannot be assumed that nuclear motion in an open-shell system occurs on a single PES. The 2s2p2 2 D <-- 2s22p 2Po valence transition in the BAr 2 cluster is investigated. The electronic transition within BAr 2 is modeled theoretically; the excited potential energy surfaces of the five-fold degenerate B(2s2p2 2D) state within the ternary complex are computed using a pairwise-additive model. A collaborative path integral molecular dynamics investigation of the equilibrium properties of boron trapped in solid para-hydrogen (pH2) and a path integral Monte Carlo spectral simulation. Using fully anisotropic pair potentials, coupling of the electronic and nuclear degrees of freedom is observed, and is found to be an essential feature in understanding the behavior and determining the energy of the impure solid, especially in highly anisotropic matrices. We employ the variational Monte Carlo method to further study the behavior of ground state B embedded in solid pH2. When a boron atom exists in a substitutional site in a lattice, the anisotropic distortion of the local lattice plays a minimal role in the energetics. However, when a nearest neighbor vacancy is present along with the boron impurity, two phenomena are found to influence the behavior of the impure quantum solid: (1)orientation of the 2p orbital to minimize the energy of the impurity and (2)distortion of the local lattice structure to promote an energetically favorable nuclear configuration. This research was supported by the Joint Program for Atomic, Molecular and Optical Science sponsored by the University of Maryland at College Park and the National Insititute of Standards and Technology, and by the U.S. Air Force Office of Scientific Research. (Abstract shortened by UMI.)

Li2 B12 and Li3 B12 : Prediction of the Smallest Tubular and Cage-like Boron Structures.

PubMed

Dong, Xue; Jalife, Said; Vásquez-Espinal, Alejandro; Ravell, Estefanía; Pan, Sudip; Cabellos, José Luis; Liang, Wei-Yan; Cui, Zhong-Hua; Merino, Gabriel

2018-04-16

An intriguing structural transition from the quasi-planar form of B 12 cluster upon the interaction with lithium atoms is reported. High-level computations show that the lowest energy structures of LiB 12 , Li 2 B 12 , and Li 3 B 12 have quasi-planar (C s ), tubular (D 6d ), and cage-like (C s ) geometries, respectively. The energetic cost of distorting the B 12 quasi-planar fragment is overcompensated by an enhanced electrostatic interaction between the Li cations and the tubular or cage-like B 12 fragments, which is the main reason of such drastic structural changes, resulting in the smallest tubular (Li 2 B 12 ) and cage-like (Li 3 B 12 ) boron structures reported to date. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Facile Synthesis of Boron-Doped rGO as Cathode Material for High Energy Li–O 2 Batteries

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

Wu, Feng; Xing, Yi; Li, Li

To improve the electrochemical performance of the high energy Li–O2 batteries, it is important to design and construct a suitable and effective oxygen-breathing cathode. Herein, a three-dimensional (3D) porous boron-doped reduction graphite oxide (B-rGO) material with a hierarchical structure has been prepared by a facile freeze-drying method. In this design, boric acid as the boron source helps to form the 3D porous structure, owing to its cross-linking and pore-forming function. This architecture facilitates the rapid oxygen diffusion and electrolyte penetration in the electrode. Meanwhile, the boron–oxygen functional groups linking to the carbon surface or edge serve as additional reaction sitesmore » to activate the ORR process. It is vital that boron atoms have been doped into the carbon lattices to greatly activate the electrons in the carbon π system, which is beneficial for fast charge under large current densities. Density functional theory calculation demonstrates that B-rGO exhibits much stronger interactions with Li5O6 clusters, so that B-rGO more effectively activates Li–O bonds to decompose Li2O2 during charge than rGO does. With B-rGO as a catalytic substrate, the Li–O2 battery achieves a high discharge capacity and excellent rate capability. Moreover, catalysts could be added into the B-rGO substrate to further lower the overpotential and enhance the cycling performance in future.« less

Boron neutron capture therapy of malignant brain tumors at the Brookhaven Medical Research Reactor

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

Joel, D.D.; Coderre, J.A.; Chanana, A.D.

1996-12-31

Boron neutron capture therapy (BNCT) is a bimodal form of radiation therapy for cancer. The first component of this treatment is the preferential localization of the stable isotope {sup 10}B in tumor cells by targeting with boronated compounds. The tumor and surrounding tissue is then irradiated with a neutron beam resulting in thermal neutron/{sup 10}B reactions ({sup 10}B(n,{alpha}){sup 7}Li) resulting in the production of localized high LET radiation from alpha and {sup 7}Li particles. These products of the neutron capture reaction are very damaging to cells, but of short range so that the majority of the ionizing energy released ismore » microscopically confined to the vicinity of the boron-containing compound. In principal it should be possible with BNCT to selectively destroy small nests or even single cancer cells located within normal tissue. It follows that the major improvements in this form of radiation therapy are going to come largely from the development of boron compounds with greater tumor selectivity, although there will certainly be advances made in neutron beam quality as well as the possible development of alternative sources of neutron beams, particularly accelerator-based epithermal neutron beams.« less

High density and taper-free boron doped Si{sub 1−x}Ge{sub x} nanowire via two-step growth process

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

Periwal, Priyanka; Salem, Bassem; Bassani, Franck

2014-07-01

The authors study Au catalyzed chemical vapor growth of Si{sub 1−x}Ge{sub x} alloyed nanowires in the presence of diborane, serving as a dopant precursor. Our experiments reveal that introduction of diborane has a significant effect on doping and morphology. Boron exposure poisons the Au catalyst surface, suppresses catalyst activity, and causes significantly tapered wires, as a result of conformal growth. The authors develop here a two-step method to obtain high density and taper-free boron doped Si{sub 1−x}Ge{sub x} alloy nanowires. The two-step process consists of: (1) growth of a small undoped Si{sub 1−x}Ge{sub x} section and (2) introduction of diboranemore » to form a boron doped Si{sub 1−x}Ge{sub x} section. The catalyst preparation step remarkably influences wire yield, quality and morphology. The authors show that dopant-ratio influences wire resistivity and morphology. Resistivity for high boron doped Si{sub 1−x}Ge{sub x} nanowire is 6 mΩ-cm. Four probe measurements show that it is possible to dope Si{sub 1−x}Ge{sub x} alloy nanowires with diborane.« less

Boron-doped graphene as promising support for platinum catalyst with superior activity towards the methanol electrooxidation reaction

NASA Astrophysics Data System (ADS)

Sun, Yongrong; Du, Chunyu; An, Meichen; Du, Lei; Tan, Qiang; Liu, Chuntao; Gao, Yunzhi; Yin, Geping

2015-12-01

We report the synthesis of boron-doped graphene by thermally annealing the mixture of graphene oxide and boric acid, and its usage as the support of Pt catalyst towards the methanol oxidation reaction. The composition, structure and morphology of boron-doped graphene and its supported Pt nanoparticles (Pt/BG) are characterized by transmission electron microscopy, inductively coupled plasma mass spectrometry, Raman spectroscopy, X-ray diffraction and X-ray photoelectron spectroscopy. It is revealed that boron atoms are doped into graphene network in the form of BC2O and BCO2 bonds, which lead to the increase in defect sites and facilitate the subsequent deposition of Pt nanoparticles. Therefore, the Pt/BG catalyst presents smaller particle size and narrower size distribution than the graphene supported Pt (Pt/G) catalyst. When evaluated as the electrocatalyst for the methanol oxidation reaction, the Pt/BG catalyst exhibits excellent electrochemical activity and stability demonstrated by cyclic voltammetry and chronoamperometry tests. The enhanced activity is mainly ascribed to the electronic interaction between boron-doped graphene and Pt nanoparticles, which lowers the d-band center of Pt and thus weakens the absorption of the poisoning intermediate CO. Our work provides an alternative approach of improving the reaction kinetics for the oxidation of small organic molecules.

Acetylene chain reaction on hydrogenated boron nitride monolayers: a density functional theory study.

PubMed

Ponce-Pérez, R; Cocoletzi, Gregorio H; Takeuchi, Noboru

2017-11-28

Spin-polarized first-principles total-energy calculations have been performed to investigate the possible chain reaction of acetylene molecules mediated by hydrogen abstraction on hydrogenated hexagonal boron nitride monolayers. Calculations have been done within the periodic density functional theory (DFT), employing the PBE exchange correlation potential, with van der Waals corrections (vdW-DF). Reactions at two different sites have been considered: hydrogen vacancies on top of boron and on top of nitrogen atoms. As previously calculated, at the intermediate state of the reaction, when the acetylene molecule is attached to the surface, the adsorption energy is of the order of -0.82 eV and -0.20 eV (measured with respect to the energy of the non interacting molecule-substrate system) for adsorption on top of boron and nitrogen atoms, respectively. After the hydrogen abstraction takes place, the system gains additional energy, resulting in adsorption energies of -1.52 eV and -1.30 eV, respectively. These results suggest that the chain reaction is energetically favorable. The calculated minimum energy path (MEP) for hydrogen abstraction shows very small energy barriers of the order of 5 meV and 22 meV for the reaction on top of boron and nitrogen atoms, respectively. Finally, the density of states (DOS) evolution study helps to understand the chain reaction mechanism. Graphical abstract Acetylene chain reaction on hydrogenated boron nitride monolayers.

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

NASA Astrophysics Data System (ADS)

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

2012-02-01

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

DFT STUDY OF CO AND NO ADSORPTION ON BORON NITRIDE (BN)n = 3 - 5 NANOCLUSTERS

NASA Astrophysics Data System (ADS)

Zahedi, Ehsan; Pangh, Abdolhakim; Ghorbanpour, Hamed

2015-11-01

Interaction of CO and NO molecules by different orientations on (BN)n=3-5 clusters have been studied at the B3LYP/6-311+G* level of theory. Total electronic energies have been corrected for geometrical counterpoise (gCP) and dispersion (D3) energies at the B3LYP/6-31G* level. Formation of a new sigma bond between the gas and (BN)3 cluster, atom in molecules (AIM) results, density of states spectrums (DOS), molecular electrostatic potential (MEP) surfaces, and visualization of wave function of molecular orbitals in the nearest bonding regions to the Fermi level have confirmed that adsorption of CO by carbon end atom, and NO by nitrogen end atom is covalent in nature, so that the charge transfer is occurred from gas molecule to the cluster.

Isomer-sensitive deboronation in reductive aminations of aryl boronic acids

DOE PAGES

Jones, Brad Howard; Wheeler, David R.; Wheeler, Jill S.; ...

2015-09-05

Deboronation is observed during the reductive amination of formylphenylboronic acid (FPBA) to the amine termini and side chains of peptides. This deboronation is sensitive to the isomerism of the boronic acid (BA), with ortho-FPBA yielding complete deboronation in the preparation of an N-terminally-modified dipeptide. The observed behavior is also clearly mediated by the chemical identity of the amine substrate. These results reveal a previously undocumented subtlety of BA functionalization and highlight the importance of thorough spectroscopic characterization in the preparation of peptide and small molecule BAs.

Electron wavepacket dynamics in highly quasi-degenerate coupled electronic states: a theory for chemistry where the notion of adiabatic potential energy surface loses the sense.

PubMed

Yonehara, Takehiro; Takatsuka, Kazuo

2012-12-14

We develop a theory and the method of its application for chemical dynamics in systems, in which the adiabatic potential energy hyper-surfaces (PES) are densely quasi-degenerate to each other in a wide range of molecular geometry. Such adiabatic electronic states tend to couple each other through strong nonadiabatic interactions. Technically, therefore, it is often extremely hard to accurately single out the individual PES in those systems. Moreover, due to the mutual nonadiabatic couplings that may spread wide in space and due to the energy-time uncertainty relation, the notion of the isolated and well-defined potential energy surface should lose the sense. On the other hand, such dense electronic states should offer a very interesting molecular field in which chemical reactions to proceed in characteristic manners. However, to treat these systems, the standard theoretical framework of chemical reaction dynamics, which starts from the Born-Oppenheimer approximation and ends up with quantum nuclear wavepacket dynamics, is not very useful. We here explore this problem with our developed nonadiabatic electron wavepacket theory, which we call the phase-space averaging and natural branching (PSANB) method [T. Yonehara and K. Takatsuka, J. Chem. Phys. 129, 134109 (2008)], or branching-path representation, in which the packets are propagated in time along the non-Born-Oppenheimer branching paths. In this paper, after outlining the basic theory, we examine using a one-dimensional model how well the PSANB method works with such densely quasi-degenerate nonadiabatic systems. To do so, we compare the performance of PSANB with the full quantum mechanical results and those given by the fewest switches surface hopping (FSSH) method, which is known to be one of the most reliable and flexible methods to date. It turns out that the PSANB electron wavepacket approach actually yields very good results with far fewer initial sampling paths. Then we apply the electron wavepacket dynamics in path-branching representation and the so-called semiclassical Ehrenfest theory to a hydrogen molecule embedded in twelve membered boron cluster (B(12)) in excited states, which are densely quasi-degenerate due to the vacancy in 2p orbitals of boron atom [1s(2)2s(2)2p(1)]. Bond dissociation of the hydrogen molecule quickly takes place in the cluster and the resultant hydrogen atoms are squeezed out to the surface of the cluster. We further study collision dynamics between H(2) and B(12), which also gives interesting phenomena. The present study suggests an interesting functionality of the boron clusters.

Evaluation of seed chemical quality traits and sensory properties of natto soybean.

PubMed

Yoshikawa, Yoko; Chen, Pengyin; Zhang, Bo; Scaboo, Andrew; Orazaly, Moldir

2014-06-15

Natto is a popular soyfood in Japan, and the U.S. is the largest supplier of natto soybeans. However, information on natto seed chemical and sensory properties is very limited. The objectives of this study were to evaluate differences of seed chemical and sensory properties among natto types and determine heritability and correlation. A total of 15 small-seeded natto genotypes (three superior, nine moderate and three inferior) were evaluated for protein, oil, calcium, manganese, boron and sugar content and processed into a natto product to evaluate appearance, stickiness, flavor, texture and shelf-life. The superior natto group had a higher sugar content but lower protein plus oil, calcium, manganese and boron content than other two groups. Most seed quality traits exhibited high heritability. The natto sensory preference was positively correlated with sucrose and oil content, but negatively correlated with seed hardness, protein, protein plus oil, calcium, manganese, and boron contents. Selecting soybean lines with low protein, protein plus oil, calcium, manganese, and boron content while with high sucrose will be an effective approach for soybean breeding for natto production. Published by Elsevier Ltd.

Experimental Studies on the Synthesis and Performance of Boron-containing High Temperature Resistant Resin Modified by Hydroxylated Tung Oil

NASA Astrophysics Data System (ADS)

Zhang, J. X.; Y Ren, Z.; Zheng, G.; Wang, H. F.; Jiang, L.; Fu, Y.; Yang, W. Q.; He, H. H.

2017-12-01

In this work, hydroxylated tung oil (HTO) modified high temperature resistant resin containing boron and benzoxazine was synthesized. HTO and ethylenediamine was used to toughen the boron phenolic resin with specific reaction. The structure of product was studied by Fourier-transform infrared spectroscopy(FTIR), and the heat resistance was tested by Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis(TGA). The results indicated that the conjugated triene structure of HTO was involved in the crosslinking of the heating curing progress, and in addition, the open-loop polymerization reaction of benzoxazine resin during heating can effectively reduce the curing temperature of the resin and reduce the release of small molecule volatiles, which is advantageous to follow-up processing. DSC data showed that the initial decomposition temperature of the resin is 350-400 °C, the carbon residue rate under 800 °C was 65%. It indicated that the resin has better heat resistance than normal boron phenolic resin. The resin can be used as an excellent ablative material and anti-friction material and has a huge application market in many fields.

Research on a Neutron Detector With a Boron-Lined Honeycomb Neutron Converter

NASA Astrophysics Data System (ADS)

Fang, Zhujun; Yang, Yigang; Li, Yulan; Zhang, Zhi; Wang, Xuewu

2017-04-01

A new design of the boron-lined gaseous neutron detector composed of a boron-lined honeycomb neutron converter and an electron multiplier is proposed in this paper. The motivation for this research was to decrease the manufacturing difficulty and improve the robustness of the boron-lined gaseous neutron detector. The numerous anode wires in the traditional designs were removed, and the gas electron multiplier (GEM) was used as the electron multiplier. To drive the ionized electrons produced inside the honeycomb structure out to the incident surface of the GEM, a drift electric field was applied inside the holes of the honeycomb structure. The design principles of this detector were discussed. Geant4, Maxwell11, and Garfield9 were used to estimate the neutron absorption efficiency and the electron migration process. A prototype detector was constructed and experimentally evaluated. Both the simulation and experimental results indicate that this detector has the potential to be used in the applications of small angle neutron scattering for scientific research, and to replace the currently used 3He detectors, which have the trouble of very limited supply of 3He gas.

Synthesis of nanoscale magnesium diboride powder

DOE PAGES

Finnemore, D. K.; Marzik, J. V.

2015-12-18

A procedure has been developed for the preparation of small grained magnesium diboride (MgB 2) powder by reacting nanometer size boron powder in a magnesium vapor. Plasma synthesized boron powder that had particle sizes ranging from 20 to 300nm was mixed with millimeter size chunks of Mg by rolling stoichiometric amounts of the powders in a sealed cylindrical container under nitrogen gas. This mixture then was placed in a niobium reaction vessel, evacuated, and sealed by e-beam welding. The vessel was typically heated to approximately 830°C for several hours. The resulting MgB 2 particles have a grain size in themore » 200 nm to 800 nm range. Agglomerates of loosely bound particles could be broken up by light grinding in a mortar and pestle. At 830°C, many particles are composed of several grains grown together so that the average particle size is about twice the average grain size. Furthermore, experiments were conducted primarily with undoped boron powder, but carbon-doped boron powder showed very similar results.« less

Evaluation of potential risks from ash disposal site leachate

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

Mills, W.B.; Loh, J.Y.; Bate, M.C.

1999-04-01

A risk-based approach is used to evaluate potential human health risks associated with a discharge from an ash disposal site into a small stream. The RIVRISK model was used to estimate downstream concentrations and corresponding risks. The modeling and risk analyses focus on boron, the constituent of greatest potential concern to public health at the site investigated, in Riddle Run, Pennsylvania. Prior to performing the risk assessment, the model is validated by comparing observed and predicted results. The comparison is good and an uncertainty analysis is provided to explain the comparison. The hazard quotient (HQ) for boron is predicted tomore » be greater than 1 at presently regulated compliance points over a range of flow rates. The reference dose (RfD) currently recommended by the United States Environmental Protection Agency (US EPA) was used for the analyses. However, the toxicity of boron as expressed by the RfD is now under review by both the U.S. EPA and the World Health Organization. Alternative reference doses being examined would produce predicted boron hazard quotients of less than 1 at nearly all flow conditions.« less

Co-doping of CVD diamond with boron and sulfur

NASA Astrophysics Data System (ADS)

Eaton, Sally Catherine

Boron is well-established as a p-type dopant in diamond, but attempts to find a viable n-type dopant remain unsuccessful. In 1999, sulfur was reported to give n-type conductivity. However, later measurements indicated that the samples contained boron and were p-type. Recently, we showed that diamond co-doped with sulfur and small quantities of boron shows n-type conductivity, which was established by Mott-Schottky analyses, thermoelectric effect, Hall measurements, scanning tunneling spectroscopy (STS), and UV open-circuit photo-potential. At higher boron concentrations, a transition to p-type behavior is observed due to overcompensation. Experiments performed without boron in the feed gas or without residual boron in the reactor chamber showed no sulfur incorporation and no change in conductivity. There is evidence that the excess sulfur concentration in the near-surface region is not stable. At room temperature and below, the activation energies range from 0.06 to 0.12 eV. Above 400K there is an irreversible loss in conductivity and the activation energy increases to approximately 1.3 eV. Additionally, we observed by SIMS that there exists a concentration gradient in sulfur with film depth. This sulfur concentration gradient is also observed in our electrical measurements. STS shows a decrease in conductivity with film depth and Hall effect measurements show both p-type and n-type coefficients for samples which are n-type in the near-surface region. The flat-band potential obtained from the Mott-Schottky experiments is only 1 to 1.5 V more negative on the electrochemical scale than that for boron-doped diamond. This implies that the Fermi level is only 1 to 1.5 eV higher than the Fermi level in boron-doped diamond. This observation implies that the n-type conductivity is not by excitation of electrons to the conduction band, but by an alternate mechanism that occurs in the middle of the band gap. One such possibility is an acceptor impurity band. Electrons from individual donor states can be excited into this acceptor band where they are free to move. This mechanism would create n-type conductivity even if the Fermi level was low in the bandgap.

Spatial Burnout in Water Reactors with Nonuniform Startup Distributions of Uranium and Boron

NASA Technical Reports Server (NTRS)

Fox, Thomas A.; Bogart, Donald

1955-01-01

Spatial burnout calculations have been made of two types of water moderated cylindrical reactor using boron as a burnable poison to increase reactor life. Specific reactors studied were a version of the Submarine Advanced Reactor (sAR) and a supercritical water reactor (SCW) . Burnout characteristics such as reactivity excursion, neutron-flux and heat-generation distributions, and uranium and boron distributions have been determined for core lives corresponding to a burnup of approximately 7 kilograms of fully enriched uranium. All reactivity calculations have been based on the actual nonuniform distribution of absorbers existing during intervals of core life. Spatial burnout of uranium and boron and spatial build-up of fission products and equilibrium xenon have been- considered. Calculations were performed on the NACA nuclear reactor simulator using two-group diff'usion theory. The following reactor burnout characteristics have been demonstrated: 1. A significantly lower excursion in reactivity during core life may be obtained by nonuniform rather than uniform startup distribution of uranium. Results for SCW with uranium distributed to provide constant radial heat generation and a core life corresponding to a uranium burnup of 7 kilograms indicated a maximum excursion in reactivity of 2.5 percent. This compared to a maximum excursion of 4.2 percent obtained for the same core life when w'anium was uniformly distributed at startup. Boron was incorporated uniformly in these cores at startup. 2. It is possible to approach constant radial heat generation during the life of a cylindrical core by means of startup nonuniform radial and axial distributions of uranium and boron. Results for SCW with nonuniform radial distribution of uranium to provide constant radial heat generation at startup and with boron for longevity indicate relatively small departures from the initially constant radial heat generation distribution during core life. Results for SAR with a sinusoidal distribution rather than uniform axial distributions of boron indicate significant improvements in axial heat generation distribution during the greater part of core life. 3. Uranium investments for cylindrical reactors with nonuniform radial uranium distributions which provide constant radial heat generation per unit core volume are somewhat higher than for reactors with uniform uranium concentration at startup. On the other hand, uranium investments for reactors with axial boron distributions which approach constant axial heat generation are somewhat smaller than for reactors with uniform boron distributions at startup.

Low-Energy Sputtering Studies of Boron Nitride with Xenon Ions

NASA Technical Reports Server (NTRS)

Ray, P. K.; Shutthanandan, V.

1999-01-01

Sputtering of boron nitride with xenon ions was investigated using secondary ion (SIMS) and secondary neutral (SNMS) mass spectrometry. The ions generated from the ion gun were incident on the target at an angle of 50' with respect to the surface'normal. The energy of ions ranged from 100 eV to 3 keV. A flood electron gun was used to neutralize the positive charge build-up on the target surface. The intensities of sputtered neutral and charged particles, including single atoms, molecules, and clusters, were measured as a function of ion energy. Positive SIMS spectra were dominated by the two boron isotopes whereas BN- and B- were the two major constituents of the negative SIMS spectra. Nitrogen could be detected only in the SNMS spectra. The intensity-energy curves of the sputtered particles were similar in shape. The knees in P-SIMS and SNMS intensity-energy curves appear at around I keV which is significantly higher that 100 to 200 eV energy range at which knees appear in the sputtering of medium and heavy elements by ions of argon and xenon. This difference in the position of the sputter yield knee between boron nitride and heavier targets is due to the reduced ion energy differences. The isotopic composition of secondary ions of boron were measured by bombarding boron nitride with xenon ions at energies ranging from 100 eV to 1.5 keV using a quadrupole mass spectrometer. An ion gun was used to generate the ion beam. A flood electron gun was used to neutralize the positive charge buildup on the target surface. The secondary ion flux was found to be enriched in heavy isotopes at lower incident ion energies. The heavy isotope enrichment was observed to decrease with increasing primary ion energy. Beyond 350 eV, light isotopes were sputtered preferentially with the enrichment increasing to an asymptotic value of 1.27 at 1.5 keV. The trend is similar to that of the isotopic enrichment observed earlier when copper was sputtered with xenon ions in the same energy range.

Formation and stability of dense arrays of Au nanoclusters on hexagonal boron nitride/Rh(111)

NASA Astrophysics Data System (ADS)

Patterson, Matthew C.; Habenicht, Bradley F.; Kurtz, Richard L.; Liu, Li; Xu, Ye; Sprunger, Phillip T.

2014-05-01

We have studied the nucleation and growth of Au clusters at submonolayer and greater coverages on the h-BN nanomesh grown on Rh(111) by means of scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS), and density functional theory (DFT). STM reveals that submonolayer Au deposited at 115 K nucleates within the nanomesh pores and remains confined to the pores even after warming to room temperature. Whereas there is a propensity of monoatomic high islands at low temperature, upon annealing, bi- and multilayer Au clusters emerge. Deposition of higher coverages of Au similarly results in Au clusters primarily confined to the nanomesh pores at room temperature. XPS analysis of core-level electronic states in the deposited Au shows strong final-state effects induced by restricted particle size dominating for low Au coverage, with indications that larger Au clusters are negatively charged by interaction through the h-BN monolayer. DFT calculations suggest that the structure of the Au clusters transitions from monolayer to bilayer at a size between 30 and 37 atoms per cluster, in line with our experiment. Bader charge analysis supports the negative charge state of deposited Au.

tassel-less1 encodes a boron channel protein required for inflorescence development in maize.

PubMed

Leonard, April; Holloway, Beth; Guo, Mei; Rupe, Mary; Yu, GongXin; Beatty, Mary; Zastrow-Hayes, Gina; Meeley, Robert; Llaca, Victor; Butler, Karlene; Stefani, Tony; Jaqueth, Jennifer; Li, Bailin

2014-06-01

tassel-less1 (tls1) is a classical maize (Zea mays) inflorescence mutant. Homozygous mutant plants have no tassels or very small tassels, and ear development is also impaired. Using a positional cloning approach, ZmNIP3;1 (a NOD26-like intrinsic protein) was identified as the candidate gene for tls1. The ZmNIP3;1 gene is completely deleted in the tls1 mutant genome. Two Mutator-insertional TUSC alleles of ZmNIP3;1 exhibited tls1-like phenotypes, and allelism tests confirmed that the tls1 gene encodes ZmNIP3;1. Transgenic plants with an RNA interference (RNAi) construct to down-regulate ZmNIP3;1 also showed tls1-like phenotypes, further demonstrating that TLS1 is ZmNIP3;1. Sequence analysis suggests that ZmNIP3;1 is a boron channel protein. Foliar application of boron could rescue the tls1 phenotypes and restore the normal tassel and ear development. Gene expression analysis indicated that in comparison with that of the wild type or tls1 plants treated with boron, the transition from the vegetative to reproductive phase or the development of the floral meristem is impaired in the shoot apical meristem of the tls1 mutant plants. It is concluded that the tls1 mutant phenotypes are caused by impaired boron transport, and boron is essential for inflorescence development in maize. © The Author 2014. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Boron Nitride Nanotube: Synthesis and Applications

NASA Technical Reports Server (NTRS)

Tiano, Amanda L.; Park, Cheol; Lee, Joseph W.; Luong, Hoa H.; Gibbons, Luke J.; Chu, Sang-Hyon; Applin, Samantha I.; Gnoffo, Peter; Lowther, Sharon; Kim, Hyun Jung;

Raman spectroscopy measurement of bilayer graphene's twist angle to boron nitride

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

Cheng, Bin; Wang, Peng; Pan, Cheng

2015-07-20

When graphene is placed on hexagonal boron nitride with a twist angle, new properties develop due to the resulting moiré superlattice. Here, we report a method using Raman spectroscopy to make rapid, non-destructive measurements of the twist angle between bilayer graphene and hexagonal boron nitride. The lattice orientation is determined by using flakes with both bilayer and monolayer regions, and using the known Raman signature for the monolayer to measure the twist angle of the entire flake. The widths of the second order Raman peaks are found to vary linearly in the superlattice period and are used to determine themore » twist angle. The results are confirmed by using transport measurements to infer the superlattice period by the charge density required to reach the secondary resistance peaks. Small twist angles are also found to produce a significant modification of the first order Raman G band peak.« less

Boron nitride nanotube: synthesis and applications

NASA Astrophysics Data System (ADS)

Tiano, Amanda L.; Park, Cheol; Lee, Joseph W.; Luong, Hoa H.; Gibbons, Luke J.; Chu, Sang-Hyon; Applin, Samantha; Gnoffo, Peter; Lowther, Sharon; Kim, Hyun Jung; Danehy, Paul M.; Inman, Jennifer A.; Jones, Stephen B.; Kang, Jin Ho; Sauti, Godfrey; Thibeault, Sheila A.; Yamakov, Vesselin; Wise, Kristopher E.; Su, Ji; Fay, Catharine C.

2014-04-01

Scientists have predicted that carbon's immediate neighbors on the periodic chart, boron and nitrogen, may also form perfect nanotubes, since the advent of carbon nanotubes (CNTs) in 1991. First proposed then synthesized by researchers at UC Berkeley in the mid 1990's, the boron nitride nanotube (BNNT) has proven very difficult to make until now. Herein we provide an update on a catalyst-free method for synthesizing highly crystalline, small diameter BNNTs with a high aspect ratio using a high power laser under a high pressure and high temperature environment first discovered jointly by NASA/NIA/JSA. Progress in purification methods, dispersion studies, BNNT mat and composite formation, and modeling and diagnostics will also be presented. The white BNNTs offer extraordinary properties including neutron radiation shielding, piezoelectricity, thermal oxidative stability (> 800°C in air), mechanical strength, and toughness. The characteristics of the novel BNNTs and BNNT polymer composites and their potential applications are discussed.

Catalytic activity of Cu4-cluster to adsorb H2S gas: h-BN nanosheet

NASA Astrophysics Data System (ADS)

Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh

2018-05-01

We have investigated the electronic properties, adsorptions strength and charge transfer using first principles calculations using density functional theory (DFT). The hexagonal boron nitride (h-BN) substrate shows metallic behavior, which helps to enhance the absorption process. The adsorption of three different orientations (S, D and T) of the H2S gas molecules to analyze the maximum adsorption strength from them onto a copper cluster (Cu4) based on h-BN nanosheet. The maximum adsorption energy of the H2S gas molecule is -1.50 eV for the S orientation and for D and U, it is -0.71 eV and -0.78 eV, respectively. The results show that Cu4 cluster helps to capture H2S gas from the environment and results are useful for the cleaning environment from the toxic gases.

Fabrication and characterization of poly (bisphenol A borate) with high thermal stability

NASA Astrophysics Data System (ADS)

Wang, Shujuan; Wang, Xiao; Jia, Beibei; Jing, Xinli

2017-01-01

In this work, poly (bisphenol A borate) (PBAB), which has excellent thermal resistance and a high char yield, was synthesized via a convenient A2 + B3 strategy by using bisphenol A (BPA) and boric acid (BA). The chemical reaction between BPA and BA and the chemical structure of PBAB were investigated. The results demonstrate that PBAB consists of aromatic, Ph-O-B and B-O-B structures, as well as a small number of boron hydroxyl groups and phenolic hydroxyl groups. The thermal properties of PBAB were studied by DMA and TGA. The results indicate that the glass transition temperature and char yield are gradually enhanced by increasing the boron content, where the char yield of PBAB at 800 °C in nitrogen (N2) reaches up to 71.3%. It is of particular importance that PBAB show excellent thermal resistance in N2 and air atmospheres. By analysing the pyrolysis of PBAB, the high char yield of PBAB can be attributed to the formation of boron oxide and boron carbide at high temperatures, which reduced the release of volatile carbon dioxide and improved the thermal stability of the carbonization products. This study provides a new perspective on the design of novel boron-containing polymers and possesses significant potential for the improvement of the comprehensive performance of thermosetting resins to broaden their applicability in the field of advanced composites.

Influence of Crucible Materials on High-temperature Properties of Vacuum-melted Nickel-chromium-cobalt Alloy

NASA Technical Reports Server (NTRS)

Decker, R F; Rowe, John P; Freeman, J W

1957-01-01

A study of the effect of induction-vacuum-melting procedure on the high-temperature properties of a titanium-and-aluminum-hardened nickel-base alloy revealed that a major variable was the type of ceramic used as a crucible. Reactions between the melt and magnesia or zirconia crucibles apparently increased high-temperature properties by introducing small amounts of boron or zirconium into the melts. Heats melted in alumina crucibles had relatively low rupture life and ductility at 1,600 F and cracked during hot-working as a result of deriving no boron or zirconium from the crucible.

NACA Research on Slurry Fuels

NASA Technical Reports Server (NTRS)

Pinns, M L; Olson, W T; Barnett, H C; Breitwieser, R

1958-01-01

An extensive program was conducted to investigate the use of concentrated slurries of boron and magnesium in liquid hydrocarbon as fuels for afterburners and ramjet engines. Analytical calculations indicated that magnesium fuel would give greater thrust and that boron fuel would give greater range than are obtainable from jet hydrocarbon fuel alone. It was hoped that the use of these solid elements in slurry form would permit the improvement to be obtained without requiring unconventional fuel systems or combustors. Small ramjet vehicles fueled with magnesium slurry were flown successfully, but the test flights indicated that further improvement of combustors and fuel systems was needed.

X-ray analysis of temperature induced defect structures in boron implanted silicon

NASA Astrophysics Data System (ADS)

Sztucki, M.; Metzger, T. H.; Kegel, I.; Tilke, A.; Rouvière, J. L.; Lübbert, D.; Arthur, J.; Patel, J. R.

2002-10-01

We demonstrate the application of surface sensitive diffuse x-ray scattering under the condition of grazing incidence and exit angles to investigate growth and dissolution of near-surface defects after boron implantation in silicon(001) and annealing. Silicon wafers were implanted with a boron dose of 6×1015 ions/cm2 at 32 keV and went through different annealing treatments. From the diffuse intensity close to the (220) surface Bragg peak we reveal the nature and kinetic behavior of the implantation induced defects. Analyzing the q dependence of the diffuse scattering, we are able to distinguish between point defect clusters and extrinsic stacking faults on {111} planes. Characteristic for stacking faults are diffuse x-ray intensity streaks along <111> directions, which allow for the determination of their growth and dissolution kinetics. For the annealing conditions of our crystals, we conclude that the kinetics of growth can be described by an Ostwald ripening model in which smaller faults shrink at the expense of the larger stacking faults. The growth is found to be limited by the self-diffusion of silicon interstitials. After longer rapid thermal annealing the stacking faults disappear almost completely without shrinking, most likely by transformation into perfect loops via a dislocation reaction. This model is confirmed by complementary cross-sectional transmission electron microscopy.

ANALYSIS OF BORON DILUTION TRANSIENTS IN PWRS.

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

DIAMOND,D.J.BROMLEY,B.P.ARONSON,A.L.

2004-02-04

A study has been carried out with PARCS/RELAP5 to understand the consequences of hypothetical boron dilution events in pressurized water reactors. The scenarios of concern start with a small-break loss-of-coolant accident. If the event leads to boiling in the core and then the loss of natural circulation, a boron-free condensate can accumulate in the cold leg. The dilution event happens when natural circulation is re-established or a reactor coolant pump (RCP) is restarted in violation of operating procedures. This event is of particular concern in B&W reactors with a lowered-loop design and is a Generic Safety Issue for the U.S.more » Nuclear Regulatory Commission. The results of calculations with the reestablishment of natural circulation show that there is no unacceptable fuel damage. This is determined by calculating the maximum fuel pellet enthalpy, based on the three-dimensional model, and comparing it with the criterion for damage. The calculation is based on a model of a B&W reactor at beginning of the fuel cycle. If an RCP is restarted, unacceptable fuel damage may be possible in plants with sufficiently large volumes of boron-free condensate in the cold leg.« less

Tribological properties of boron nitride synthesized by ion beam deposition

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.; Spalvins, T.

1985-01-01

The adhesion and friction behavior of boron nitride films on 440 C bearing stainless steel substrates was examined. The thin films containing the boron nitride were synthesized using an ion beam extracted from a borazine plasma. Sliding friction experiments were conducted with BN in sliding contact with itself and various transition metals. It is indicated that the surfaces of atomically cleaned BN coating film contain a small amount of oxides and carbides, in addition to boron nitride. The coefficients of friction for the BN in contact with metals are related to the relative chemical activity of the metals. The more active the metal, the higher is the coefficient of friction. The adsorption of oxygen on clean metal and BN increases the shear strength of the metal - BN contact and increases the friction. The friction for BN-BN contact is a function of the shear strength of the elastic contacts. Clean BN surfaces exhibit relatively strong interfacial adhesion and high friction. The presence of adsorbates such as adventitious carbon contaminants on the BN surfaces reduces the shear strength of the contact area. In contrast, chemically adsorbed oxygen enhances the shear strength of the BN-BN contact and increases the friction.

Investigation of Various Active Layers for Their Performance on Organic Solar Cells.

PubMed

Huang, Pao-Hsun; Wang, Yeong-Her; Ke, Jhong-Ciao; Huang, Chien-Jung

2016-08-09

The theoretical mechanism of open-circuit voltages (V OC ) in OSCs based on various small molecule organic materials is studied. The structure under investigation is simple planar heterojunction (PHJ) by thermal vacuum evaporation deposition. The various wide band gaps of small molecule organic materials are used to enhance the power conversion efficiency (PCE). The donor materials used in the device include: Alpha-sexithiophene (α-6T), Copper(II) phthalocyanine (CuPc), boron subnaphthalocyanine chloride (SubNc) and boron Subphthalocyanine chloride (SubPc). It is combined with fullerene or SubPc acceptor material to obtain a comprehensive understanding of the charge transport behavior. It is found that the V OC of the device is largely limited by charge transport. This was associated with the space charge effects and hole accumulation. These results are attributed to the improvement of surface roughness and work function after molybdenum trioxide (MoO₃) is inserted as an anode buffer layer.

Boron neutrino flux and the MSW solution of the solar neutrino problem

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

Krastev, P.I.; Smirnov, A.Y.

1994-10-01

There are large uncertainties in the predictions of the boron neutrino flux from the Sun which cannot be considered as being of purely statistical origin. We treat the magnitude of this flux, {Phi}{sub B}, as a parameter to be found from experiment. The properties of the, MSW solution to the solar neutrino problem for different values of {Phi}{sub B} are studied. Present, data give the bounds: 0.38 < {Phi}{sub B}/{Phi}{sub B}{sup O} < 3.1 (2{sigma}), where {Phi}{sub B}{sup O} {identical_to} 5.7 {center_dot} 10{sup 6} cm{sup {minus}2}s{sup {minus}1} is the flux in the reference SSM. The variations of the flux inmore » this interval enlarge the allowed region of mixing angles: sin{sup 2} 2{theta} = 0.2 {divided_by} 2 {center_dot} 10{sup {minus}4} {divided_by} 2 {center_dot} 10{sup {minus}2} (small mixing solutions) and sin{sup 2} 2{theta} = 0.2 {divided_by} 0.85 (large mixing solution). If the value of the original boron neutrino flux is about that measured by Kamiokande, a consistent description of the data is achieved for sin{sup 2} 2{theta} {approximately} (0.8 {divided_by} 2) {center_dot} 10{sup {minus}3} (``very small mixing solution``). The solution is characterized by a strong suppression of the beryllium neutrino line, a weak distortion of the high energy part of the baron neutrino spectrum and a value of the double ratio (CC/NC){sup exp}/(CC/NC){sup SSM} at E > 5 MeV close to 1. We comment on the possibility to measure the neutrino parameters and the original boron neutrino flux in future experiments.« less

Influence of Neutron Sources and 10B Concentration on Boron Neutron Capture Therapy for Shallow and Deeper Non-small Cell Lung Cancer.

PubMed

Yu, Haiyan; Tang, Xiaobin; Shu, Diyun; Liu, Yuanhao; Geng, Changran; Gong, Chunhui; Hang, Shuang; Chen, Da

2017-03-01

Boron Neutron Capture Therapy (BNCT) is a radiotherapy that combines biological targeting and high Linear Energy Transfer (LET). It is considered a potential therapeutic approach for non-small cell lung cancer (NSCLC). It could avoid the inaccurate treatment caused by the lung motion during radiotherapy, because the dose deposition mainly depends on the boron localization and neutron source. Thus, B concentration and neutron sources are both principal factors of BNCT, and they play significant roles in the curative effect of BNCT for different cases. The purpose was to explore the feasibility of BNCT treatment for NSCLC with either of two neutron sources (the epithermal reactor at the Massachusetts Institute of Technology named "MIT source" and the accelerator neutron source designed in Argentina named "MEC source") and various boron concentrations. Shallow and deeper lung tumors were defined in the Chinese hybrid radiation phantom, and the Monte Carlo method was used to calculate the dose to tumors and healthy organs. The MEC source was more appropriate to treat the shallow tumor (depth of 6 cm) with a shorter treatment time. However, the MIT source was more suitable for deep lung tumor (depth of 9 cm) treatment, as the MEC source is more likely to exceed the skin dose limit. Thus, a neutron source consisting of more fast neutrons is not necessarily suitable for deep treatment of lung tumors. Theoretical distribution of B in tumors and organs at risk (especially skin) was obtained to meet the treatable requirement of BNCT, which may provide the references to identify the feasibility of BNCT for the treatment of lung cancer using these two neutron sources in future clinical applications.

Cryptic Species and Vital Effects of Planktonic Foraminifera and the Implications for the B/Ca Carbonate System Proxy

NASA Astrophysics Data System (ADS)

Osborne, E.; Thunell, R.; Bizimis, M.; Buckley, W. P., Jr.; Sadekov, A.

2017-12-01

The concentration of boron in marine carbonates (B/Ca ratio) has been proposed to covary with seawater carbonate chemistry. However, a number of studies have evaluated the B/Ca proxy in planktonic foraminifera and found that boron incorporation may not be a straightforward process. The majority of previous research has been dedicated to tropical species that host large photosynthetic symbionts, which interfere with ambient carbonate chemistry and the incorporation of boron into the calcite lattice. This study focuses on evaluating B/Ca of subtropical and subpolar species that are asymbiontic or host small intra-shell non-dinoflagellate symbionts (Globigerina bulloides, Neogloboquadrina incompta and Neogloboquadrina dutertrei). Size-fraction replicate B/Ca measurements spanning a year-long sediment trap time-series generally indicate no size-dependent uptake of boron for these species, further supporting that symbionts influence/complicate boron incorporation/concentration. Both Neogloboquadrina species indicate strong correlation with the calcite saturation of seawater, carbonate ion concentration and pH that agree well with a recently published Pacific core-top calibration. However the relationship between G. bulloides and these variables is more complex. The presence of two cryptic species of G. bulloides (encrusted and normal) in our study region with documented offsets in stable isotopic composition also causes the unexpected differences between pooled trace element sample values and carbonate chemistry. Individual shell geochemistries determined by laser ablation ICP-MS indicate that the encrusted morphospecies have higher boron concentrations relative to the normal morphospecies. Based on these results we conclude that B/Ca ratios of non-dinoflagellate/symbiont-barren foraminifera faithfully record seawater carbonate chemistry. However inter-species and morphospecies differences may be significant and careful application of the B/Ca proxy to a single morphospecies is essential to creating meaningful data.

Cyclic Boronates Inhibit All Classes of β-Lactamases

PubMed Central

Cain, Ricky; Wang, David Y.; Lohans, Christopher T.; Wareham, David W.; Oswin, Henry P.; Mohammed, Jabril; Spencer, James; Fishwick, Colin W. G.; McDonough, Michael A.

2017-01-01

ABSTRACT β-Lactamase-mediated resistance is a growing threat to the continued use of β-lactam antibiotics. The use of the β-lactam-based serine-β-lactamase (SBL) inhibitors clavulanic acid, sulbactam, and tazobactam and, more recently, the non-β-lactam inhibitor avibactam has extended the utility of β-lactams against bacterial infections demonstrating resistance via these enzymes. These molecules are, however, ineffective against the metallo-β-lactamases (MBLs), which catalyze their hydrolysis. To date, there are no clinically available metallo-β-lactamase inhibitors. Coproduction of MBLs and SBLs in resistant infections is thus of major clinical concern. The development of “dual-action” inhibitors, targeting both SBLs and MBLs, is of interest, but this is considered difficult to achieve due to the structural and mechanistic differences between the two enzyme classes. We recently reported evidence that cyclic boronates can inhibit both serine- and metallo-β-lactamases. Here we report that cyclic boronates are able to inhibit all four classes of β-lactamase, including the class A extended spectrum β-lactamase CTX-M-15, the class C enzyme AmpC from Pseudomonas aeruginosa, and class D OXA enzymes with carbapenem-hydrolyzing capabilities. We demonstrate that cyclic boronates can potentiate the use of β-lactams against Gram-negative clinical isolates expressing a variety of β-lactamases. Comparison of a crystal structure of a CTX-M-15:cyclic boronate complex with structures of cyclic boronates complexed with other β-lactamases reveals remarkable conservation of the small-molecule binding mode, supporting our proposal that these molecules work by mimicking the common tetrahedral anionic intermediate present in both serine- and metallo-β-lactamase catalysis. PMID:28115348

Boroxol rings from diffraction data on vitreous boron trioxide.

PubMed

Soper, Alan K

2011-09-14

There has been a considerable debate about the nature of the short range atomic order in vitreous B(2)O(3). Some authorities state that it is not possible to build a model of glassy boron oxide of the correct density containing a large number of six-membered rings which also fits experimental diffraction data, but recent computer simulations appear to overrule that view. To discover which view is correct I use empirical potential structure refinement (EPSR) on existing neutron and x-ray diffraction data to build two models of vitreous B(2)O(3). One of these consists only of single boron and oxygen atoms arranged in a network to reproduce the diffraction data as closely as possible. This model has less than 10% of boron atoms in boroxol rings. The second model is made up of an equimolar mixture of B(3)O(3) hexagonal ring 'molecules' and BO(3) triangular molecules, with no free boron or oxygen atoms. This second model therefore has 75% of the boron atoms in boroxol rings. It is found that both models give closely similar diffraction patterns, suggesting that the diffraction data in this case are not sensitive to the number of boroxol rings present in the structure. This reinforces recent Raman, ab initio, and NMR claims that the percentage of boroxol rings in this material may be as high as 75%. The findings of this study probably explain why some interpretations based on different simulation techniques only find a small fraction of boroxol rings. The results also highlight the power of EPSR for the extraction of accurate atomistic representations of amorphous structures, provided adequate additional, non-scattering data (such as Raman and NMR in this case) are available.

Processing Research on Chemically Vapor Deposited Silicon Nitride

DTIC Science & Technology

1981-12-01

forming silicon carbide to reduce free silicon content. (b) Boron and aluminum were selected as two single-valence elements with small atomic radii which...obtained in cold wall (CW-3) runs were sliced into small flexure bars (19.1x3.2xt(mm) where t = thickness) if they appeared to be of suitable quality...discussed later. Addition of borcn trichloride in small amounts (Run 8) caused Formation of a light blue translucent deposit which contained at least one

Synthesis and characterization of poly (dihydroxybiphenyl borate) with high char yield for high-performance thermosetting resins

NASA Astrophysics Data System (ADS)

Wang, Shujuan; Xing, Xiaolong; Li, Jian; Jing, Xinli

2018-01-01

The objective of the current work is to synthesize novel boron-containing polymers with excellent thermal resistance, and reveal the structure and the reason for the high char yield. Thus, poly (dihydroxybiphenyl borate) (PDDB) with a more rigid molecular chain, was successfully synthesized using 4,4‧-dihydroxybiphenyl and boric acid. Structural characterizations of the prepared PDDB were performed via NMR, FTIR, XPS, and XRD analyses. The results reveal that PDDB consists of aromatic, Phsbnd Osbnd B and Bsbnd Osbnd B structures as well as a small number of boron hydroxyl and phenolic hydroxyl groups. PDDB shows good solubility in strong polar solvents, which is of great importance for the modification of thermosetting resins. TGA combined with DSC were employed to evaluate the thermal properties of PDDB, and increases in the glass transition temperature (Tg) and char yield were observed with increased boron content. Tg and char yield of PDDB (800 °C, nitrogen atmosphere) reached up to 219 °C and 66.5%, respectively. PDDB was extensively characterized during pyrolysis to reveal the high char yield of PDDB. As briefly discussed, the boron oxide and boron carbide that formed during pyrolysis play a crucial role in the high char yield of PDDB, which reduces the release of volatile carbon dioxide and carbon. This research suggests that PDDB has great potential as a novel modified agent for the improvement of the comprehensive performance of thermosetting resins to broaden their applicability in the field of advanced composites.

INEL BNCT Research Program annual report, 1992

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

Venhuizen, J.R.

1993-05-01

This report is a summary of the progress and research produced for the Idaho National Engineering Laboratory Boron Neutron Capture Therapy (BNCT) Research Program for calendar year 1992. Contributions from all the principal investigators about their individual projects are included, specifically, chemistry (pituitary tumor targeting compounds, boron drug development including liposomes, lipoproteins, and carboranylalanine derivatives), pharmacology (murine screenings, toxicity testing, inductively coupled plasma-atomic emission spectroscopy (ICP-AES) analysis of biological samples), physics (radiation dosimetry software, neutron beam and filter design, neutron beam measurement dosimetry), and radiation biology (small and large animal models tissue studies and efficacy studies). Information on the potentialmore » toxicity of borocaptate sodium and boronophenylalanine is presented, results of 21 spontaneous-tumor-bearing dogs that have been treated with BNCT at the Brookhaven National Laboratory (BNL) Medical Research Reactor (BMRR) are discussed, and predictions for an epithermal-neutron beam at the Georgia Tech Research Reactor (GTRR) are shown. Cellular-level boron detection and localization by secondary ion mass spectrometry, sputter-initiated resonance ionization spectroscopy, low atomization resonance ionization spectroscopy, and alpha track are presented. Boron detection by ICP-AES is discussed in detail. Several boron carrying drugs exhibiting good tumor uptake are described. Significant progress in the potential of treating pituitary tumors with BNCT is presented. Measurement of the epithermal-neutron flux at BNL and comparison to predictions are shown. Calculations comparing the GTRR and BMRR epithermal-neutron beams are also presented. Individual progress reports described herein are separately abstracted and indexed for the database.« less

Indications for a High-Rigidity Break in the Cosmic-Ray Diffusion Coefficient

NASA Astrophysics Data System (ADS)

Génolini, Yoann; Serpico, Pasquale D.; Boudaud, Mathieu; Caroff, Sami; Poulin, Vivian; Derome, Laurent; Lavalle, Julien; Maurin, David; Poireau, Vincent; Rosier, Sylvie; Salati, Pierre; Vecchi, Manuela

2017-12-01

Using cosmic-ray boron to carbon ratio (B/C) data recently released by the Ams-02 experiment, we find indications (decisive evidence, in Bayesian terms) in favor of a diffusive propagation origin for the broken power-law spectra found in protons (p ) and helium nuclei (He). The result is robust with respect to currently estimated uncertainties in the cross sections, and in the presence of a small component of primary boron, expected because of spallation at the acceleration site. Reduced errors at high energy as well as further cosmic ray nuclei data (as absolute spectra of C, N, O, Li, Be) may definitively confirm this scenario.

Packing C60 in Boron Nitride Nanotubes

NASA Astrophysics Data System (ADS)

Mickelson, W.; Aloni, S.; Han, Wei-Qiang; Cumings, John; Zettl, A.

2003-04-01

We have created insulated C60 nanowire by packing C60 molecules into the interior of insulating boron nitride nanotubes (BNNTs). For small-diameter BNNTs, the wire consists of a linear chain of C60 molecules. With increasing BNNT inner diameter, unusual C60 stacking configurations are obtained (including helical, hollow core, and incommensurate) that are unknown for bulk or thin-film forms of C60. C60 in BNNTs thus presents a model system for studying the properties of dimensionally constrained ``silo'' crystal structures. For the linear-chain case, we have fused the C60 molecules to form a single-walled carbon nanotube inside the insulating BNNT.

Robust half-metallic ferromagnetism and curvature dependent magnetic coupling in fluorinated boron nitride nanotubes.

PubMed

Guo, Chunsheng; Zhou, Yu; Shi, Xin-Qiang; Gan, Li-Yong; Jiang, Hong; Zhao, Yong

2016-04-28

The fluorinated boron nitride (F-BN) nanostructures are found to be fully spin polarized and half-metallic by means of first-principles calculations based on the Heyd-Scuseria-Ernzerhof hybrid functional. It is found that the full spin polarization and 1 μB local moment in F-BN nanotubes are independent of tube radius and it is also robust in planar ribbons and sheets. The long-ranged ferromagnetic coupling between local moments decreases with decreasing tube radius. This suggests that F-BN systems with small local curvatures could be more easily experimentally observed and have greater potential applications in spin devices.

Nanostructured BN-Mg composites: features of interface bonding and mechanical properties.

PubMed

Kvashnin, Dmitry G; Krasheninnikov, Arkady V; Shtansky, Dmitry; Sorokin, Pavel B; Golberg, Dmitri

2016-01-14

Magnesium (Mg) is one of the lightest industrially used metals. However, wide applications of Mg-based components require a substantial enhancement of their mechanical characteristics. This can be achieved by introducing small particles or fibers into the metal matrix. Using first-principles calculations, we investigate the stability and mechanical properties of a nanocomposite made of magnesium reinforced with boron nitride (BN) nanostructures (BN nanotubes and BN monolayers). We show that boron vacancies at the BN/Mg interface lead to a substantial increase in BN/Mg bonding establishing an efficient route towards the development of BN/Mg composite materials with enhanced mechanical properties.

AMS with light nuclei at small accelerators

NASA Astrophysics Data System (ADS)

Stan-Sion, C.; Enachescu, M.

2017-06-01

AMS applications with lighter nuclei are presented. It will be shown how Carbon-14, Boron-10, Beryllium-10, and Tritium-3 can be used to provide valuable information in forensic science, environmental physics, nuclear pollution, in material science and for diagnose of the plasma confinement in fusion reactors. Small accelerators are reliable, efficient and possess the highest ion beam transmissions that confer high precision in measurements.

Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage

NASA Astrophysics Data System (ADS)

Chen, Ming; Zhao, Yu-Jun; Liao, Ji-Hai; Yang, Xiao-Bao

2012-07-01

Using density-functional theory calculations, we investigated the adsorption of transition-metal (TM) atoms (TM = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) on carbon doped hexagonal boron nitride (BN) sheet and the corresponding cage (B12N12). With carbon substitution of nitrogen, Sc, V, Cr, and Mn atoms were energetically favorable to be dispersed on the BN nanostructures without clustering or the formation of TM dimers, due to the strong binding between TM atoms and substrate, which contains the half-filled levels above the valence bands maximum. The carbon doped BN nanostructures with dispersed Sc could store up to five and six H2, respectively, with the average binding energy of 0.3 ˜ 0.4 eV, indicating the possibility of fabricating hydrogen storage media with high capacity. We also demonstrated that the geometrical effect is important for the hydrogen storage, leading to a modulation of the charge distributions of d levels, which dominates the binding between H2 and TM atoms.

Adsorption of formamide over pristine and Al-doped boron nitride nanosheets: A dispersion-corrected DFT study.

PubMed

Esrafili, Mehdi D; Mousavian, Parisasadat; Arjomandi Rad, Farzad

2018-06-01

Using the dispersion-corrected DFT calculations, different adsorption modes of formamide molecule are studied over the pristine and Al-doped boron nitride nanosheets (BNNS). It is found that the interaction between the Al atom and its neighboring N atoms in the Al-doped BNNS is very strong, which would hinder the dispersion and clustering of the Al atoms over the BNNS surface. Unlike the pristine nanosheet, the electronic properties of Al-doped BNNS are very sensitive to the formamide adsorption. The adsorption energies of formamide over the Al-doped sheet are in the range of -0.93 to -1.85 eV, which indicates the quite strong interaction of this molecule with the surface. Moreover, the dehydrogenation of formamide over the Al-doped BNNS is examined. According to our results, the N-H bond scission of formamide is more energetically favorable than the C-H one. Copyright © 2018 Elsevier Inc. All rights reserved.

Radiation damage and defect behavior in proton irradiated lithium-counterdoped n+p silicon solar cells

NASA Technical Reports Server (NTRS)

Stupica, John; Goradia, Chandra; Swartz, Clifford K.; Weinberg, Irving

1987-01-01

Two lithium-counterdoped n+p silicon solar cells with different lithium concentrations were irradiated by 10-MeV protons. Cell performance was measured as a function of fluence, and it was found that the cell with the highest concentration of lithium had the highest radiation resistance. Deep level transient spectroscopy which showed two deep level defects that were lithium related. Relating the defect energy levels obtained from this study with those from earlier work using 1-MeV electron irradiation shows no correlation of the defect energy levels. There is one marked similarity: the absence of the boron-interstitial-oxygen-interstitial defect. This consistency strengthens the belief that lithium interacts with oxygen to prevent the formation of the boron interstitial-oxygen interstitial defect. The results indicate that, in general, addition of lithium in small amounts to the p-base of a boron doped silicon solar cell such that the base remains p-type, tends to increase the radiation resistance of the cell.

Simulations of the synthesis of boron-nitride nanostructures in a hot, high pressure gas volume† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c8sc00667a

PubMed Central

Han, Longtao; Irle, Stephan; Nakai, Hiromi

2018-01-01

We performed nanosecond timescale computer simulations of clusterization and agglomeration processes of boron nitride (BN) nanostructures in hot, high pressure gas, starting from eleven different atomic and molecular precursor systems containing boron, nitrogen and hydrogen at various temperatures from 1500 to 6000 K. The synthesized BN nanostructures self-assemble in the form of cages, flakes, and tubes as well as amorphous structures. The simulations facilitate the analysis of chemical dynamics and we are able to predict the optimal conditions concerning temperature and chemical precursor composition for controlling the synthesis process in a high temperature gas volume, at high pressure. We identify the optimal precursor/temperature choices that lead to the nanostructures of highest quality with the highest rate of synthesis, using a novel parameter of the quality of the synthesis (PQS). Two distinct mechanisms of BN nanotube growth were found, neither of them based on the root-growth process. The simulations were performed using quantum-classical molecular dynamics (QCMD) based on the density-functional tight-binding (DFTB) quantum mechanics in conjunction with a divide-and-conquer (DC) linear scaling algorithm, as implemented in the DC-DFTB-K code, enabling the study of systems as large as 1300 atoms in canonical NVT ensembles for 1 ns time. PMID:29780513

Isolation, Solubility, and Characterization of D-Mannitol Esters of 4-Methoxybenzeneboronic Acid.

PubMed

Lopalco, Antonio; Marinaro, William A; Day, Victor W; Stella, Valentino J

2017-02-01

The purpose of this study was to determine the aqueous solubility of a model phenyl boronic acid, 4-methoxybenzeneboronic acid, as a function of pH both in the absence and in the presence of varying D-mannitol concentration. Solid isolated D-mannitol esters were characterized by differential scanning calorimetry, thermogravimetric analysis, powder X-ray diffraction, and single-crystal X-ray studies, and the boronic acid-to-D-mannitol ratio was quantified by HPLC. Hydrolysis of the monoester was studied using UV spectral differences between the monoester and the parent boronic acid. Two D-mannitol esters of 4-methoxybenzeneboronic acid were isolated. The triboronate ester was very insoluble whereas a symmetrical monoboronate monohydrate was also less soluble than the parent. Both esters were crystalline. The monoboronate monohydrate was, however, more soluble than the parent at alkaline pH values due to its lower pKa value (6.53) compared to the parent acid (9.41). Hydrolysis of the monoboronate was extremely fast when even small amount of water was added to dry acetonitrile solutions of the ester. The hydrolysis was buffer concentration dependent and apparent pH sensitive with hydrolysis accelerated by acid. Implications affecting the formulation of future boronic acid drugs are discussed. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Elucidating the resistance to failure under tribological tests of various boron-based films by XPS and ToF-SIMS

NASA Astrophysics Data System (ADS)

Spadaro, F.; Rossi, A.; Lainé, E.; Woodward, P.; Spencer, N. D.

2017-12-01

Tribotests performed on boron-based thermal films have revealed higher mechanical durability and lower wear coefficients compared to results from tests performed on boron-free thermal films. In the current study, in order to follow and identify the tribochemical reactions taking place in the contact regions, post-characterization has been carried out on the steel ball and on the steel disc. The techniques adopted to achieve this goal were small-area X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary-ion mass spectroscopy (ToF-SIMS). The contact areas have been investigated before and after failure of the thermal films, revealing thermal-film removal inside the wear track on the disc and the presence of a transfer film in the contact area on the steel ball following tribotesting. Furthermore, borate contributions in the deeper layers within the tribo-stressed area on the disc were revealed at the end of the tribotest. These procedures shed light on the tribomechanical and tribochemical reactions taking place in the contact region, on the ability of boron species to sustain tribological stress and provide mechanical stability, and on the mechanical-mixing processes occurring within the sliding contacts. The mass spectra collected before tribotesting on all thermal films suggest the presence of phosphate- and borate-containing structures.

Boron containing multilayer coatings and method of fabrication

DOEpatents

Makowiecki, D.M.; Jankowski, A.F.

1997-09-23

Hard coatings are fabricated from multilayer boron/boron carbide, boron carbide/cubic boron nitride, and boron/boron nitride/boron carbide, and the fabrication thereof involves magnetron sputtering in a selected atmosphere. These hard coatings may be applied to tools and engine and other parts, as well to reduce wear on tribological surfaces and electronic devices. These boron coatings contain no morphological growth features. For example, the boron and boron carbide used in forming the multilayers are formed in an inert (e.g. argon) atmosphere, while the cubic boron nitride is formed in a reactive (e.g. nitrogen) atmosphere. The multilayer boron/boron carbide, and boron carbide/cubic boron nitride is produced by depositing alternate layers of boron, cubic boron nitride or boron carbide, with the alternate layers having a thickness of 1 nanometer to 1 micrometer, and at least the interfaces of the layers may be of a discrete or a blended or graded composition. 6 figs.

Boron containing multilayer coatings and method of fabrication

DOEpatents

Makowiecki, Daniel M.; Jankowski, Alan F.

1997-01-01

Hard coatings are fabricated from multilayer boron/boron carbide, boron carbide/cubic boron nitride, and boron/boron nitride/boron carbide, and the fabrication thereof involves magnetron sputtering in a selected atmosphere. These hard coatings may be applied to tools and engine and other parts, as well to reduce wear on tribological surfaces and electronic devices. These boron coatings contain no morphological growth features. For example, the boron and boron carbide used in forming the multilayers are formed in an inert (e.g. argon) atmosphere, while the cubic boron nitride is formed in a reactive (e.g. nitrogen) atmosphere. The multilayer boron/boron carbide, and boron carbide/cubic boron nitride is produced by depositing alternate layers of boron, cubic boron nitride or boron carbide, with the alternate layers having a thickness of 1 nanometer to 1 micrometer, and at least the interfaces of the layers may be of a discrete or a blended or graded composition.

Atomistic Simulation and Electronic Structure of Lithium Doped Ionic Liquids: Structure, Transport, and Electrochemical Stability

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Bauschlicher, Charles W.; Lawson, John W.

2015-01-01

Zero-temperature density functional theory (DFT), density functional theory molecular dynamics (DFT-MD), and classical molecular dynamics using polarizable force fields (PFF-MD) are employed to evaluate the influence of Lithium ion on the structure, transport, and electrochemical stability of three potential ionic liquid electrolytes: N--methyl-N-butylpyrrolidinium bis(trifluoromethanesulfonyl)imide ([pyr14][TFSI]), N--methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide ([pyr13][FSI]), and 1-ethyl-3--methylimidazolium boron tetrafluoride ([EMIM][BF4]). We characterize the Lithium ion solvation shell through zero-temperature DFT simulations of [Li(Anion)sub n](exp n-1) -clusters, DFT-MD simulations of isolated lithium ions in small ionic liquid systems, and PFF-MD simulations with high Li-doping levels in large ionic liquid systems. At low levels of Li-salt doping, highly stable solvation shells having 2-3 anions are seen in both [pyr14][TFSI] and [pyr13][FSI], while solvation shells with 4 anions dominate in [EMIM][BF sub 4]. At higher levels of doping, we find the formation of complex Li-network structures that increase the frequency of 4 anion-coordinated solvation shells. A comparison of computational and experimental Raman spectra for a wide range of [Li(Anion) sub n](exp n -1) - clusters shows that our proposed structures are consistent with experiment. We estimate the ion diffusion coefficients and quantify both size and simulation time effects. We find estimates of lithium ion diffusion are a reasonable order of magnitude and can be corrected for simulation time effects. Simulation size, on the other hand, is also important, with diffusion coefficients from long PFF-MD simulations of small cells having 20-40% error compared to large-cell values. Finally, we compute the electrochemical window using differences in electronic energy levels of both isolated cation/anion pairs and small ionic liquid systems with Li-salt doping. The single pair and liquid-phase systems provide similar estimates of electrochemical window, while Li-doping in the liquid-phase systems results in electrochemical windows little changed from the neat systems. Pure and hybrid functionals systematically provide an upper and lower bound, respectively, to the experimental electrochemical window for the systems studied here.

A new scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: theory, implementation, and examples.

PubMed

Dutta, Achintya Kumar; Vaval, Nayana; Pal, Sourav

2015-01-28

We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N(6) does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base.

Nondestrucive analysis of fuel pins

DOEpatents

Stepan, I.E.; Allard, N.P.; Suter, C.R.

1972-11-03

Disclosure is made of a method and a correspondingly adapted facility for the nondestructive analysis of the concentation of fuel and poison in a nuclear reactor fuel pin. The concentrations of fuel and poison in successive sections along the entire length of the fuel pin are determined by measuring the reactivity of a thermal reactor as each successive small section of the fuel pin is exposed to the neutron flux of the reactor core and comparing the measured reactivity with the reactivities measured for standard fuel pins having various known concentrations. Only a small section of the length of the fuel pin is exposed to the neutron flux at any one time while the remainder of the fuel pin is shielded from the neutron flux. In order to expose only a small section at any one time, a boron-10-lined dry traverse tube is passed through the test region within the core of a low-power thermal nuclear reactor which has a very high fuel sensitivity. A narrow window in the boron-10 lining is positioned at the core center line. The fuel pins are then systematically traversed through the tube past the narrow window such that successive small sections along the length of the fuel pin are exposed to the neutron flux which passes through the narrow window.

SBA Innovation Clusters

DTIC Science & Technology

2012-03-02

Programs and services to help you start, grow and succeed www.sba.gov U.S. Small Business Administration Your Small Business Resource 1Approved for...Public Release SBA Innovation Clusters RADM Steven G. Smith USN (Ret) Advanced Defense Technology Cluster Coordinator U.S. Small Business ...UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) U.S. Small Business Administration ,Advanced Defense Technology Cluster,409 3rd St, SW

Methods of forming boron nitride

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

Trowbridge, Tammy L; Wertsching, Alan K; Pinhero, Patrick J

A method of forming a boron nitride. The method comprises contacting a metal article with a monomeric boron-nitrogen compound and converting the monomeric boron-nitrogen compound to a boron nitride. The boron nitride is formed on the same or a different metal article. The monomeric boron-nitrogen compound is borazine, cycloborazane, trimethylcycloborazane, polyborazylene, B-vinylborazine, poly(B-vinylborazine), or combinations thereof. The monomeric boron-nitrogen compound is polymerized to form the boron nitride by exposure to a temperature greater than approximately 100.degree. C. The boron nitride is amorphous boron nitride, hexagonal boron nitride, rhombohedral boron nitride, turbostratic boron nitride, wurzite boron nitride, combinations thereof, or boronmore » nitride and carbon. A method of conditioning a ballistic weapon and a metal article coated with the monomeric boron-nitrogen compound are also disclosed.« less

Electronic structure and optical properties of boron nitride nanotube bundles from first principles

NASA Astrophysics Data System (ADS)

Behzad, Somayeh

2015-06-01

The electronic and optical properties of bundled armchair and zigzag boron nitride nanotubes (BNNTs) are investigated by using density functional theory. Owing to the inter-tube coupling, the dispersions along the tube axis and in the plane perpendicular to the tube axis of BNNT bundles are significantly varied, which are characterized by the decrease of band gap, the splitting of the doubly degenerated states, the expansions of valence and conduction bands. The calculated dielectric functions of the armchair and zigzag bundles are similar to that of the isolated tubes, except for the appearance of broadened peaks, small shifts of peak positions about 0.1 eV and increasing of peak intensities.

MULTI-PLATE IONIZATION CHAMBER FOR THE DETECTION OF SLOW NEUTRONS

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

Bubzanowski, A.; Grotowski, K.

1957-01-01

A description is given of an ionization chamber, the electrodes of which are coated with a layer of natural boron of thickness 3 mg/cm/sup 2/. Each electrode of the chamber consists of three disks, placed between plates of the other electrodes. The capacitance between the electrodes does not exceed 15 micromicrofarads. The technology of coating the layer is as follows: the boron is mixed with alcohol and a small amount of Canada balsam and is coated in the form of an emulsion on the plates. The chamber efficiency is approximately 2%. The filler is argon at atmospheric pressure. The durationmore » of the output pulses after forming is approximately 5 microseconds.« less

Study of electronic and magnetic properties of h-BN on Ni surfaces: A DFT approach

NASA Astrophysics Data System (ADS)

Sahoo, M. R.; Sahu, S.; Kushwaha, A. K.; Nayak, S.

2018-04-01

Hexagonal boron nitride (h-BN) is a promising material for implementation in spintronics due to large band gap, low spin-orbit coupling, and a small lattice mismatch to graphene and close-packedsurfaces of fcc-Ni(111). Electronic and magnetic properties of single layer hexagonal Boron Nitride (h-BN) on Ni (111) surface have been studied with density functional calculation. Since lattice constants of nickel surfaces are very close to that of h-BN, nickel acts as a good substrate. We found that the interaction between 2Pz - 3dz2 orbitals leads to change in electronic band structure as well as density of states which results spin polarization in h-BN.

Adhesion, friction, and deformation of ion-beam-deposited boron nitride films

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa; Buckley, Donald H.; Alterovitz, Samuel A.; Pouch, John J.; Liu, David C.

1987-01-01

The tribological properties and mechanical strength of boron nitride films were investigated. The BN films were predominantly amorphous and nonstoichiometric and contained small amounts of oxides and carbides. It was found that the yield pressure at full plasticity, the critical load to fracture, and the shear strength of interfacial adhesive bonds (considered as adhesion) depended on the type of metallic substrate on which the BN was deposited. The harder the substrate, the greater the critical load and the adhesion. The yield pressures of the BN film were 12 GPa for the 440C stainless steel substrate, 4.1 GPa for the 304 stainless steel substrate, and 3.3 GPa for the titanium substrate.

Adhesion, friction and deformation of ion-beam-deposited boron nitride films

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.; Alterovitz, S. A.; Pouch, J. J.; Liu, D. C.

1987-01-01

The tribological properties and mechanical strength of boron nitride films were investigated. The BN films were predominantly amorphous and nonstoichiometric and contained small amounts of oxides and carbides. It was found that the yield pressure at full plasticity, the critical load to fracture, and the shear strength of interfacial adhesive bonds (considered as adhesion) depended on the type of metallic substrate on which the BN was deposited. The harder the substrate, the greater the critical load and the adhesion. The yield pressures of the BN film were 12 GPa for the 440C stainless steel substrate, 4.1 GPa for the 304 stainless steel substrate, and 3.3 GPa for the titanium substrate.

Pyrotechnic Smoke Compositions Containing Boron Carbide

DTIC Science & Technology

2012-06-10

resulting smoke. The inhalation of zinc fumes is known to cause “metal fume fever” and the smoke also contains various chlorinated organic compounds...matches were used to ignite the slurried items. Bare pellets were ignited with electrically heated nickel- chromium wire (hot wire). Small HC smoke

Crack propagation in aluminum sheets reinforced with boron-epoxy

NASA Technical Reports Server (NTRS)

Roderick, G. L.

1979-01-01

An analysis was developed to predict both the crack growth and debond growth in a reinforced system. The analysis was based on the use of complex variable Green's functions for cracked, isotropic sheets and uncracked, orthotropic sheets to calculate inplane and interlaminar stresses, stress intensities, and strain-energy-release rates. An iterative solution was developed that used the stress intensities and strain-energy-release rates to predict crack and debond growths, respectively, on a cycle-by-cycle basis. A parametric study was made of the effects of boron-epoxy composite reinforcement on crack propagation in aluminum sheets. Results show that the size of the debond area has a significant effect on the crack propagation in the aluminum. For small debond areas, the crack propagation rate is reduced significantly, but these small debonds have a strong tendency to enlarge. Debond growth is most likely to occur in reinforced systems that have a cracked metal sheet reinforced with a relatively thin composite sheet.

Crystalline boron nitride aerogels

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

Zettl, Alexander K.; Rousseas, Michael; Goldstein, Anna P.

This disclosure provides methods and materials related to boron nitride aerogels. For example, one aspect relates to a method for making an aerogel comprising boron nitride, comprising: (a) providing boron oxide and an aerogel comprising carbon; (b) heating the boron oxide to melt the boron oxide and heating the aerogel; (c) mixing a nitrogen-containing gas with boron oxide vapor from molten boron oxide; and (d) converting at least a portion of the carbon to boron nitride to obtain the aerogel comprising boron nitride. Another aspect relates to a method for making an aerogel comprising boron nitride, comprising heating boron oxidemore » and an aerogel comprising carbon under flow of a nitrogen-containing gas, wherein boron oxide vapor and the nitrogen-containing gas convert at least a portion of the carbon to boron nitride to obtain the aerogel comprising boron nitride.« less

Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

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

Zhang, Jianbao; Ma, Zhongjun, E-mail: mzj1234402@163.com; Chen, Guanrong

All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding ormore » deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.« less

Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

NASA Astrophysics Data System (ADS)

Zhang, Jianbao; Ma, Zhongjun; Chen, Guanrong

2014-06-01

All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding or deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.

77 FR 32568 - Notice of Scope Rulings

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-01

... steel plate from the PRC that contains a small level of boron, regardless of producer, is circumventing... Steel Plate in Coils From Italy Requestor: AAVID Thermalloy LLC. (``AAVID''); 24 steel clips imported by...-Length Carbon Steel From the People's Republic of China Requestor: ArcelorMittal USA, Inc.; Nucor...

Density-based clustering of small peptide conformations sampled from a molecular dynamics simulation.

PubMed

Kim, Minkyoung; Choi, Seung-Hoon; Kim, Junhyoung; Choi, Kihang; Shin, Jae-Min; Kang, Sang-Kee; Choi, Yun-Jaie; Jung, Dong Hyun

2009-11-01

This study describes the application of a density-based algorithm to clustering small peptide conformations after a molecular dynamics simulation. We propose a clustering method for small peptide conformations that enables adjacent clusters to be separated more clearly on the basis of neighbor density. Neighbor density means the number of neighboring conformations, so if a conformation has too few neighboring conformations, then it is considered as noise or an outlier and is excluded from the list of cluster members. With this approach, we can easily identify clusters in which the members are densely crowded in the conformational space, and we can safely avoid misclustering individual clusters linked by noise or outliers. Consideration of neighbor density significantly improves the efficiency of clustering of small peptide conformations sampled from molecular dynamics simulations and can be used for predicting peptide structures.

Structure and reactivity of boron-ate complexes derived from primary and secondary boronic esters.

PubMed

Feeney, Kathryn; Berionni, Guillaume; Mayr, Herbert; Aggarwal, Varinder K

2015-06-05

Boron-ate complexes derived from primary and secondary boronic esters and aryllithiums have been isolated, and the kinetics of their reactions with carbenium ions studied. The second-order rate constants have been used to derive nucleophilicity parameters for the boron-ate complexes, revealing that nucleophilicity increased with (i) electron-donating aromatics on boron, (ii) neopentyl glycol over pinacol boronic esters, and (iii) 12-crown-4 ether.

Boron Abundances Across the "Li-Be Dip" in the Hyades Cluster

NASA Astrophysics Data System (ADS)

Boesgaard, Ann Merchant; Lum, Michael G.; Deliyannis, Constantine P.; King, Jeremy R.; Pinsonneault, Marc H.

2015-08-01

Dramatic deficiencies of Li in the mid-F dwarf stars of the Hyades cluster were discovered by Boesgaard and Tripicco in 1986. Using high-resolution, high signal-to-noise spectra from the Keck 10-m telescope, Boesgaard and King discovered the corresponding, but smaller, deficiencies in Be in the same narrow temperature region in the Hyades. With the Space Telescope Imaging Spectrograph on HST we investigate B abundances in the Hyades F stars to look for a potential B dip. We use the resonance line of B I at 2497 A. These three elements are destroyed inside stars at increasingly hotter temperatures: 2.5 x 10$^6$, 3.5 x 10$^6$, and 5 x 10$^6$ K for Li, Be, B respectively. Consequently, these elements survive to increasingly greater depths in a star and their surface abundances act as a report on the depth and thoroughness of mixing in the star. We have used updated photometry from Hipparcos to find stellar parameters for the Hyades stars and have redetermined Li abundances (or upper limits) for 79 Hyades dwarfs, Be for 34 stars, and B in five stars. We find evidence for a small dip in the B abundance across the Li-Be dip. We have compared our nLTE B abundances for the three high B stars on either side of the Li-Be dip with those found by Duncan for the Hyades giants. This confirms the factor of ten decline in the B abundance in the Hyades giants as predicted by dilution due to the deepening of the surface convection zone.

Electroextraction of boron from boron carbide scrap

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

Jain, Ashish; Anthonysamy, S., E-mail: sas@igcar.gov.in; Ghosh, C.

2013-10-15

Studies were carried out to extract elemental boron from boron carbide scrap. The physicochemical nature of boron obtained through this process was examined by characterizing its chemical purity, specific surface area, size distribution of particles and X-ray crystallite size. The microstructural characteristics of the extracted boron powder were analyzed by using scanning electron microscopy and transmission electron microscopy. Raman spectroscopic examination of boron powder was also carried out to determine its crystalline form. Oxygen and carbon were found to be the major impurities in boron. Boron powder of purity ∼ 92 wt. % could be produced by the electroextraction processmore » developed in this study. Optimized method could be used for the recovery of enriched boron ({sup 10}B > 20 at. %) from boron carbide scrap generated during the production of boron carbide. - Highlights: • Recovery of {sup 10}B from nuclear grade boron carbide scrap • Development of process flow sheet • Physicochemical characterization of electroextracted boron • Microscopic examination of electroextracted boron.« less

JAGUAR Procedures for Detonation Behavior of Explosives Containing Boron

NASA Astrophysics Data System (ADS)

Stiel, Leonard; Baker, Ernest; Capellos, Christos

2009-06-01

The JAGUAR product library was expanded to include boron and boron containing products. Relationships of the Murnaghan form for molar volumes and derived properties were implemented in JAGUAR. Available Hugoniot and static volumertic data were analyzed to obtain constants of the Murnaghan relationship for solid boron, boron oxide, boron nitride, boron carbide, and boric acid. Experimental melting points were also utilized with optimization procedures to obtain the constants of the volumetric relationships for liquid boron and boron oxide. Detonation velocities for HMX - boron mixtures calculated with these relationships using JAGUAR are in closer agreement with literature values at high initial densities for inert (unreacted) boron than with the completely reacted metal. These results indicate that boron mixtures may exhibit eigenvalue detonation behavior, as observed by aluminized combined effects explosives, with higher detonation velocities than would be achieved by a classical Chapman-Jouguet detonation. Analyses of calorimetric measurements for RDX - boron mixtures indicate that at high boron contents the formation of side products, including boron nitride and boron carbide, inhibits the energy output obtained from the detonation of the formulation.

76 FR 31301 - Notice of Scope Rulings

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-31

... steel plate from the PRC that contains a small level of boron, involves such a minor alteration to the... order; December 21, 2010. A-570-909: Certain Steel Nails from the People's Republic of China. Requestor... Carbon Steel from the People's Republic of China. Requestor: ArcelorMittal USA, Inc.; Nucor Corporation...

DEVELOPMENT OF A SCALABLE, LOW-COST, ULTRANANOCRYSTALLINE DIAMOND ELECTROCHEMICAL PROCESS FOR THE DESTRUCTION OF CONTAMINANTS OF EMERGING CONCERN (CECS) - PHASE I

EPA Science Inventory

This Small Business Innovative Research (SBIR) project will develop and ready for commercialization a scalable, low-cost process for purification of water containing Contaminants of Emerging Concern (CECs) using anodic oxidation with boron-doped ultrananocrystalline diam...

DEVELOPMENT OF A SCALABLE, LOW-COST, ULTRANANOCRYSTALLINE DIAMOND ELECTROCHEMICAL PROCESS FOR THE DESTRUCTION OF CONTAMINANTS OF EMERGING CONCERN (CECS) - PHASE II

EPA Science Inventory

This Small Business Innovation Research (SBIR) Phase II project will employ the large scale; highly reliable boron-doped ultrananocrystalline diamond (BD-UNCD®) electrodes developed during Phase I project to build and test Electrochemical Anodic Oxidation process (EAOP)...

Parachute Recovery Systems Design Manual

DTIC Science & Technology

1991-03-01

CUTTER BLADE ’S ACTUATOR ASSEMBLY ASSEMBL WELDED CLOSURE DISK LINE BORON/CALCIUM CHROMATE 1OHM BRIDGE -. (47gm Dia. Wire Tophet C) DAP RING POLVIMIDE...8.124 J. A. Buckley. "Missile Recovery System for High-Speed Small-Caliber Missiles." AIAA Paper, October 1986. (AIAA 86-2462.) 8.125 S. K. Ibrahim

Long-term culture of pluripotent stem-cell-derived human neurons on diamond--A substrate for neurodegeneration research and therapy.

PubMed

Nistor, Paul A; May, Paul W; Tamagnini, Francesco; Randall, Andrew D; Caldwell, Maeve A

2015-08-01

Brain Computer Interfaces (BCI) currently represent a field of intense research aimed both at understanding neural circuit physiology and at providing functional therapy for traumatic or degenerative neurological conditions. Due to its chemical inertness, biocompatibility and stability, diamond is currently being actively investigated as a potential substrate material for culturing cells and for use as the electrically active component of a neural sensor. Here we provide a protocol for the differentiation of mature, electrically active neurons on microcrystalline synthetic thin-film diamond substrates starting from undifferentiated pluripotent stem cells. Furthermore, we investigate the optimal characteristics of the diamond microstructure for long-term neuronal sustainability. We also analyze the effect of boron as a dopant for such a culture. We found that the diamond crystalline structure has a significant influence on the neuronal culture unlike the boron doping. Specifically, small diamond microcrystals promote higher neurite density formation. We find that boron incorporated into the diamond does not influence the neurite density and has no deleterious effect on cell survival. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Feasibility of BNCT radiobiological experiments at the HYTHOR facility

NASA Astrophysics Data System (ADS)

Esposito, J.; Ceballos, C.; Soncin, M.; Fabris, C.; Friso, E.; Moro, D.; Colautti, P.; Jori, G.; Rosi, G.; Nava, E.

2008-06-01

HYTHOR (HYbrid Thermal spectrum sHifter tapirO Reactor) is a new thermal-neutron irradiation facility, which was installed and became operative in mid 2005 at the TAPIRO (TAratura PIla Rapida potenza 0) fast reactor, in the Casaccia research centre (near Rome) of ENEA (Ente per le Nuove tecnologie Energia ed Ambiente). The facility has been designed for in vivo radiobiological studies. In HYTHOR irradiation cavity, 1-6 mice can be simultaneously irradiated to study skin melanoma treatments with the BNCT (boron neutron capture therapy). The therapeutic effects of HYTHOR radiation field on mouse melanoma has been studied as a preliminary investigation before studying the tumour local control due to boron neutron capture effect after boronated molecule injection. The method to properly irradiate small animals has been precisely defined. Results show that HYTHOR radiation field is by itself effective in reducing the tumour-growth rate. This finding has to be taken into account in studying the effectiveness of new 10B carriers. A method to properly measure the reduction of the tumour-growth rate is reported and discussed.

Phase Contrast Imaging of Damage Initiation During Ballistic Impact of Boron Carbide

NASA Astrophysics Data System (ADS)

Schuster, Brian; Tonge, Andrew; Ramos, Kyle; Rigg, Paulo; Iverson, Adam; Schuman, Adam; Lorenzo, Nicholas

2017-06-01

For several decades, flash X-ray imaging has been used to perform time-resolved investigations of the response of ceramics under ballistic impact. Traditional absorption based contrast offers little insight into the early initiation of inelastic deformation mechanisms and instead typically only shows the gross deformation and fracture behavior. In the present work, we employed phase contrast imaging (PCI) at the Dynamic Compression Sector (DCS) at the Advanced Photon Source, Argonne National Laboratory, to investigate crack initiation and propagation following the impact of copper penetrators into boron carbide targets. These experiments employed a single-stage propellant gun to launch small-scale (0.6 mm diameter by 3 mm long) pure copper impactors at velocities ranging from 0.9 to 1.9 km/s into commercially available boron carbide targets that were 8 mm on a side. At the lowest striking velocities the penetrator undergoes dwell or interface defeat and the target response is consistent with the cone crack formation at the impact site. At higher striking velocities there is a distinct transition to massive fragmentation leading to the onset of penetration.

Effective visible light-active boron and europium co-doped BiVO4 synthesized by sol-gel method for photodegradion of methyl orange.

PubMed

Wang, Min; Che, Yinsheng; Niu, Chao; Dang, Mingyan; Dong, Duo

2013-11-15

Eu-B co-doped BiVO4 visible-light-driven photocatalysts have been synthesized using the sol-gel method. The resulting materials were characterized by a series of joint techniques, including XPS, XRD, SEM, BET, and UV-vis DRS analyses. Compared with BiVO4 and B-BiVO4 photocatalysts, the Eu-B-BiVO4 photocatalysts exhibited much higher photocatalytic activity for methyl orange (MO) degradation under visible light irradiation. The optimal Eu doping content is 0.8 mol%. It was revealed that boron and europium were doped into the lattice of BiVO4 and this led to more surface oxygen vacancies, high specific surface areas, small crystallite size, a narrower band gap and intense light absorbance in the visible region. The doped Eu(III) cations can help in the separation of photogenerated electrons. The synergistic effects of boron and europium in doped BiVO4 were the main reason for improving visible light photocatalytic activity. Copyright © 2013 Elsevier B.V. All rights reserved.

Effects of Oxidation on Oxidation-Resistant Graphite

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

Windes, William; Smith, Rebecca; Carroll, Mark

2015-05-01

The Advanced Reactor Technology (ART) Graphite Research and Development Program is investigating doped nuclear graphite grades that exhibit oxidation resistance through the formation of protective oxides on the surface of the graphite material. In the unlikely event of an oxygen ingress accident, graphite components within the VHTR core region are anticipated to oxidize so long as the oxygen continues to enter the hot core region and the core temperatures remain above 400°C. For the most serious air-ingress accident which persists over several hours or days the continued oxidation can result in significant structural damage to the core. Reducing the oxidationmore » rate of the graphite core material during any air-ingress accident would mitigate the structural effects and keep the core intact. Previous air oxidation testing of nuclear-grade graphite doped with varying levels of boron-carbide (B4C) at a nominal 739°C was conducted for a limited number of doped specimens demonstrating a dramatic reduction in oxidation rate for the boronated graphite grade. This report summarizes the conclusions from this small scoping study by determining the effects of oxidation on the mechanical strength resulting from oxidation of boronated and unboronated graphite to a 10% mass loss level. While the B4C additive did reduce mechanical strength loss during oxidation, adding B4C dopants to a level of 3.5% or more reduced the as-fabricated compressive strength nearly 50%. This effectively minimized any benefits realized from the protective film formed on the boronated grades. Future work to infuse different graphite grades with silicon- and boron-doped material as a post-machining conditioning step for nuclear components is discussed as a potential solution for these challenges in this report.« less

A vibrational spectroscopic study of the borate mineral ezcurrite Na4B10O17·7H2O - Implications for the molecular structure

NASA Astrophysics Data System (ADS)

Frost, Ray L.; López, Andrés; Theiss, Frederick L.; Scholz, Ricardo; Belotti, Fernanda M.

2014-07-01

We have studied the boron containing mineral ezcurrite Na4B10O17·7H2O using electron microscopy and vibrational spectroscopy. Both tetrahedral and trigonal boron units are observed. The nominal resolution of the Raman spectrometer is of the order of 2 cm-1 and as such is sufficient enough to identify separate bands for the stretching bands of the two boron isotopes. The Raman band at 1037 cm-1 is assigned to BO stretching vibration. Raman bands at 1129, 1163, 1193 cm-1 are attributed to BO stretching vibration of the tetrahedral units. The Raman band at 947 cm-1 is attributed to the antisymmetric stretching modes of tetrahedral boron. The sharp Raman peak at 1037 cm-1 is from the 11-B component such a mode, then it should have a smaller 10-B satellite near (1.03) × (1037) = 1048 cm-1, and indeed a small peak at 1048 is observed. The broad Raman bands at 3186, 3329, 3431, 3509, 3547 and 3576 cm-1 are assigned to water stretching vibrations. Broad infrared bands at 3170, 3322, 3419, 3450, 3493, 3542, 3577 and 3597 cm-1 are also assigned to water stretching vibrations. Infrared bands at 1330, 1352, 1389, 1407, 1421 and 1457 cm-1 are assigned to the antisymmetric stretching vibrations of trigonal boron. The observation of so many bands suggests that there is considerable variation in the structure of ezcurrite. Infrared bands at 1634, 1646 and 1681 cm-1 are assigned to water bending modes. The number of water bending modes is in harmony with the number of water stretching vibrations.

Process for microwave sintering boron carbide

DOEpatents

Holcombe, C.E.; Morrow, M.S.

1993-10-12

A method of microwave sintering boron carbide comprises leaching boron carbide powder with an aqueous solution of nitric acid to form a leached boron carbide powder. The leached boron carbide powder is coated with a glassy carbon precursor to form a coated boron carbide powder. The coated boron carbide powder is consolidated in an enclosure of boron nitride particles coated with a layer of glassy carbon within a container for microwave heating to form an enclosed coated boron carbide powder. The enclosed coated boron carbide powder is sintered within the container for microwave heating with microwave energy.

Process for microwave sintering boron carbide

DOEpatents

Holcombe, Cressie E.; Morrow, Marvin S.

1993-01-01

A method of microwave sintering boron carbide comprises leaching boron carbide powder with an aqueous solution of nitric acid to form a leached boron carbide powder. The leached boron carbide powder is coated with a glassy carbon precursor to form a coated boron carbide powder. The coated boron carbide powder is consolidated in an enclosure of boron nitride particles coated with a layer of glassy carbon within a container for microwave heating to form an enclosed coated boron carbide powder. The enclosed coated boron carbide powder is sintered within the container for microwave heating with microwave energy.

Thermometric MIP sensor for fructosyl valine.

PubMed

Rajkumar, Rajagopal; Katterle, Martin; Warsinke, Axel; Möhwald, Helmuth; Scheller, Frieder W

2008-02-28

Interactions of molecularly imprinted polymers containing phenyl boronic acid residues with fructosyl valine, fructose and pinacol, respectively are analysed in aqueous solution (pH 11.4) by using a flow calorimeter. The reversible formation of (two) cyclic boronic acid diesters per fructosyl molecule generates a 40-fold higher exothermic signal as compared to the control polymer. Whereas binding of pinacol to either the MIP or the control polymer generates a very small endothermic signal reflecting a negligible contribution of the esterification to the overall process. An "apparent imprinting factor" of 41 is found which exceeds the respective value of batch binding procedures by a factor of 30. Furthermore, the MIP sensor was used to characterise the crossreactivity. The influence of shape selective molecular recognition is discussed.

Use of Phenylboronic Acids to Investigate Boron Function in Plants. Possible Role of Boron in Transvacuolar Cytoplasmic Strands and Cell-to-Wall Adhesion

PubMed Central

Bassil, Elias; Hu, Hening; Brown, Patrick H.

2004-01-01

The only defined physiological role of boron in plants is as a cross-linking molecule involving reversible covalent bonds with cis-diols on either side of borate. Boronic acids, which form the same reversible bonds with cis-diols but cannot cross-link two molecules, were used to selectively disrupt boron function in plants. In cultured tobacco (Nicotiana tabacum cv BY-2) cells, addition of boronic acids caused the disruption of cytoplasmic strands and cell-to-cell wall detachment. The effect of the boronic acids could be relieved by the addition of boron-complexing sugars and was proportional to the boronic acid-binding strength of the sugar. Experiments with germinating petunia (Petunia hybrida) pollen and boronate-affinity chromatography showed that boronic acids and boron compete for the same binding sites. The boronic acids appear to specifically disrupt or prevent borate-dependent cross-links important for the structural integrity of the cell, including the organization of transvacuolar cytoplasmic strands. Boron likely plays a structural role in the plant cytoskeleton. We conclude that boronic acids can be used to rapidly and reversibly induce boron deficiency-like responses and therefore are useful tools for investigating boron function in plants. PMID:15466241

Dynamic behaviour of nanometre-sized defect clusters emitted from an atomic displacement cascade in Au at 50 K

NASA Astrophysics Data System (ADS)

Ono, K.; Miyamoto, M.; Arakawa, K.; Birtcher, R. C.

2017-09-01

We demonstrate the emission of nanometre-sized defect clusters from an isolated displacement cascade formed by irradiation of high-energy self-ions and their subsequent 1-D motion in Au at 50 K, using in situ electron microscopy. The small defect clusters emitted from a displacement cascade exhibited correlated back-and-forth 1-D motion along the [-1 1 0] direction and coalescence which results in their growth and reduction of their mobility. From the analysis of the random 1-D motion, the diffusivity of the small cluster was evaluated. Correlated 1-D motion and coalescence of clusters were understood via elastic interaction between small clusters. These results provide direct experimental evidence of the migration of small defect clusters and defect cascade evolution at low temperature.

Method of fabricating boron containing coatings

DOEpatents

Makowiecki, Daniel M.; Jankowski, Alan F.

1999-01-01

Hard coatings are fabricated from boron nitride, cubic boron nitride, and multilayer boron/cubic boron nitride, and the fabrication thereof involves magnetron sputtering in a selected atmosphere. These hard coatings may be applied to tools and engine and other parts, as well to reduce wear on tribological surfaces and electronic devices. These boron coatings contain no morphological growth features. For example, the boron is formed in an inert (e.g. argon) atmosphere, while the cubic boron nitride is formed in a reactive (e.g. nitrogen) atmosphere. The multilayer boron/cubic boron nitride, is produced by depositing alternate layers of boron and cubic boron nitride, with the alternate layers having a thickness of 1 nanometer to 1 micrometer, and at least the interfaces of the layers may be discrete or of a blended or graded composition.

Method of fabricating boron containing coatings

DOEpatents

Makowiecki, D.M.; Jankowski, A.F.

1999-04-27

Hard coatings are fabricated from boron nitride, cubic boron nitride, and multilayer boron/cubic boron nitride, and the fabrication thereof involves magnetron sputtering in a selected atmosphere. These hard coatings may be applied to tools and engine and other parts, as well to reduce wear on tribological surfaces and electronic devices. These boron coatings contain no morphological growth features. For example, the boron is formed in an inert (e.g. argon) atmosphere, while the cubic boron nitride is formed in a reactive (e.g. nitrogen) atmosphere. The multilayer boron/cubic boron nitride, is produced by depositing alternate layers of boron and cubic boron nitride, with the alternate layers having a thickness of 1 nanometer to 1 micrometer, and at least the interfaces of the layers may be discrete or of a blended or graded composition. 3 figs.

Synthesis and characterization of new 19-vertex macropolyhedral boron hydrides.

PubMed

Dopke, J A; Powell, D R; Gaines, D F

2000-02-07

The new boron hydride anions 10-R-B19H19- (R = H, Thx) were synthesized by the reaction of M2[B18H20] (M = Na, K) with HBRCl.SMe2 (R = H, Thx) or HBCl2.SMe2 in diethyl ether. The anions are comprised of edge-sharing, nido 10- and 11-vertex cluster fragments, and are characterized by their 11B, 11B[1H], and 11B-11B COSY NMR spectra. The salt [(Ph3P)2N][B19H20].0.5THF crystallized in the triclinic space group P1 (a = 12.6344-(2) A, b = 13.5978(2) A, c = 14.1401(2) A; alpha = 77.402(2) degrees, beta = 81.351(2) degrees, gamma = 73.253(2) degrees). Possible synthetic pathways are discussed. The dianion B19H19(2-) is formed by deprotonation of B19H20- with Proton Sponge (1,8-bis(dimethylamino)naphthalene) in THF, and is identified on the basis of its 11B, 11B[1H], and 11B-11B COSY NMR spectra.

Boron nitride converted carbon fiber

DOEpatents

Rousseas, Michael; Mickelson, William; Zettl, Alexander K.

2016-04-05

This disclosure provides systems, methods, and apparatus related to boron nitride converted carbon fiber. In one aspect, a method may include the operations of providing boron oxide and carbon fiber, heating the boron oxide to melt the boron oxide and heating the carbon fiber, mixing a nitrogen-containing gas with boron oxide vapor from molten boron oxide, and converting at least a portion of the carbon fiber to boron nitride.

A note on the accuracy of KS-DFT densities

NASA Astrophysics Data System (ADS)

Ranasinghe, Duminda S.; Perera, Ajith; Bartlett, Rodney J.

2017-11-01

The accuracy of the density of wave function methods and Kohn-Sham (KS) density functionals is studied using moments of the density, ⟨rn ⟩ =∫ ρ (r )rnd τ =∫0∞4 π r2ρ (r ) rnd r ,where n =-1 ,-2,0,1,2 ,and 3 provides information about the short- and long-range behavior of the density. Coupled cluster (CC) singles, doubles, and perturbative triples (CCSD(T)) is considered as the reference density. Three test sets are considered: boron through neon neutral atoms, two and four electron cations, and 3d transition metals. The total density and valence only density are distinguished by dropping appropriate core orbitals. Among density functionals tested, CAMQTP00 and ωB97x show the least deviation for boron through neon neutral atoms. They also show accurate eigenvalues for the HOMO indicating that they should have a more correct long-range behavior for the density. For transition metals, some density functional approximations outperform some wave function methods, suggesting that the KS determinant could be a better starting point for some kinds of correlated calculations. By using generalized many-body perturbation theory (MBPT), the convergence of second-, third-, and fourth-order KS-MBPT for the density is addressed as it converges to the infinite-order coupled cluster result. For the transition metal test set, the deviations in the KS density functional theory methods depend on the amount of exact exchange the functional uses. Functionals with exact exchange close to 25% show smaller deviations from the CCSD(T) density.

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

Hossain, M. Anwar; Center for Crystal Science and Technology, University of Yamanashi, Miyamae 7-32, Kofu, Yamanashi 400-8511; Tanaka, Isao

We studied thermoelectric properties of YB{sub 41}Si{sub 1.3} single crystals grown by the floating zone method. The composition of the grown crystal was confirmed by electron probe micro-analysis. We have determined the growth direction for the first time for these borosilicides, and discovered relatively large anisotropy in electrical properties. We measured the electrical resistivity and Seebeck coefficient along [510] (the growth direction) and [052] directions and we found that this crystal exhibits strong electrical anisotropy with a maximum of more than 8 times. An interesting layered structural feature is revealed along [510] with dense boron cluster layers and yttrium layers,more » with conductivity enhanced along this direction. We obtained 3.6 times higher power factor along [510] compared to that along [052]. Although the ZT of the present system is low, anisotropy in the thermoelectric properties of a boride was reported for the first time, and can be a clue in developing other boride systems also. - Graphical abstract: The growth direction ([510]) was determined for the first time in YB{sub 41}Si{sub 1.3} single crystals and revealed an interesting layered feature of boron clusters and metal atoms, along which the electrical conductivity and thermoelectric power factor was strongly enhanced. - Highlights: • We have grown YB{sub 41}Si{sub 1.3} single crystals by the floating zone method. • Growth direction of [510] determined for first time in REB{sub 41}Si{sub 1.2}. • Electrical resistivity was strongly anisotropic with possible enhancement along metal layers. • The obtained power factor along [510] is 3.6 times higher than that along [052].« less

A new and effective approach to boron removal by using novel boron-specific fungi isolated from boron mining wastewater.

PubMed

Taştan, Burcu Ertit; Çakir, Dilara Nur; Dönmez, Gönül

2016-01-01

Boron-resistant fungi were isolated from the wastewater of a boron mine in Turkey. Boron removal efficiencies of Penicillium crustosum and Rhodotorula mucilaginosa were detected in different media compositions. Minimal Salt Medium (MSM) and two different waste media containing molasses (WM-1) or whey + molasses (WM-2) were tested to make this process cost effective when scaled up. Both isolates achieved high boron removal yields at the highest boron concentrations tested in MSM and WM-1. The maximum boron removal yield by P. crustosum was 45.68% at 33.95 mg l(-1) initial boron concentration in MSM, and was 38.97% at 42.76 mg l(-1) boron for R. mucilaginosa, which seemed to offer an economically feasible method of removing boron from the effluents.

No evidence that boron influences tree species distributions in lowland tropical forests of Panama.

PubMed

Turner, Benjamin L; Zalamea, Paul-Camilo; Condit, Richard; Winter, Klaus; Wright, S Joseph; Dalling, James W

2017-04-01

It was recently proposed that boron might be the most important nutrient structuring tree species distributions in tropical forests. Here we combine observational and experimental studies to test this hypothesis for lowland tropical forests of Panama. Plant-available boron is uniformly low in tropical forest soils of Panama and is not significantly associated with any of the > 500 species in a regional network of forest dynamics plots. Experimental manipulation of boron supply to seedlings of three tropical tree species revealed no evidence of boron deficiency or toxicity at concentrations likely to occur in tropical forest soils. Foliar boron did not correlate with soil boron along a local scale gradient of boron availability. Fifteen years of boron addition to a tropical forest increased plant-available boron by 70% but did not significantly change tree productivity or boron concentrations in live leaves, wood or leaf litter. The annual input of boron in rainfall accounts for a considerable proportion of the boron in annual litterfall and is similar to the pool of plant-available boron in the soil, and is therefore sufficient to preclude boron deficiency. We conclude that boron does not influence tree species distributions in Panama and presumably elsewhere in the lowland tropics. No claim to original US government works New Phytologist © 2016 New Phytologist Trust.

The quest for inorganic fullerenes

NASA Astrophysics Data System (ADS)

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.; Park, Eun Ji; Ganteför, Gerd; Seo, Hyun Ook; Kim, Young Dok; Idrobo, Juan-Carlos; Pennycook, Stephen J.

2015-10-01

Experimental results of the search for inorganic fullerenes are presented. MonSm- and WnSm- clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.

Electronic structure, stability and magnetic properties of small M1-4(M = Fe, Co, Ni) clusters encapsulated inside a (BN)48 cage

NASA Astrophysics Data System (ADS)

Liang, Wenjuan; Jia, Jianfeng; Lv, Jin; Wu, Haishun

2015-02-01

The geometrical structure and magnetic properties of M1-4(M = Fe, Co and Ni) clusters within a (BN)48 cage were calculated at the BPW91/LanL2DZ level. The small M1-4 clusters generally prefer an off-centered position near the hexagonal rings in the (BN)48 cages. The (BN)48 cages can increase the stability of these small magnetic clusters while protecting the magnetic nature of M and M2 clusters.

Credit WCT. Original 2'" x 2'" color negative is housed ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Credit WCT. Original 2-'" x 2-'" color negative is housed in the JPL Photography Laboratory, Pasadena, California. View shows small autoclave demonstrated by JPL staff member Milton Clay (JPL negative no. JPL-10286AC, 27 January 1989). - Jet Propulsion Laboratory Edwards Facility, Liner Laboratory, Edwards Air Force Base, Boron, Kern County, CA

Production Process for Strong, Light Ceramic Tiles

NASA Technical Reports Server (NTRS)

Holmquist, G. R.; Cordia, E. R.; Tomer, R. S.

1985-01-01

Proportions of ingredients and sintering time/temperature schedule changed. Production process for lightweight, high-strength ceramic insulating tiles for Space Shuttle more than just scaled-up version of laboratory process for making small tiles. Boron in aluminum borosilicate fibers allows fusion at points where fibers contact each other during sintering, thereby greatly strengthening tiles structure.

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

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

Al-Hamdani, Yasmine S.; Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ; Alfè, Dario

2016-04-21

Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the interaction of environmentally and industrially relevant molecules such as water with these materials. Taking inspiration from advances in hybridising graphene and h-BN, we explore using density functional theory, the dissociation of water, hydrogen, methane, and methanol on graphene, h-BN, and their isoelectronic doped counterparts: BN doped graphene and C doped h-BN. We find that doped surfaces are considerably more reactive than their pristine counterparts and by comparingmore » the reactivity of several small molecules, we develop a general framework for dissociative adsorption. From this a particularly attractive consequence of isoelectronic doping emerges: substrates can be doped to enhance their reactivity specifically towards either polar or non-polar adsorbates. As such, these substrates are potentially viable candidates for selective catalysts and membranes, with the implication that a range of tuneable materials can be designed.« less

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

NASA Astrophysics Data System (ADS)

Al-Hamdani, Yasmine S.; Alfè, Dario; von Lilienfeld, O. Anatole; Michaelides, Angelos

2016-04-01

Novel uses for 2-dimensional materials like graphene and hexagonal boron nitride (h-BN) are being frequently discovered especially for membrane and catalysis applications. Still however, a great deal remains to be understood about the interaction of environmentally and industrially relevant molecules such as water with these materials. Taking inspiration from advances in hybridising graphene and h-BN, we explore using density functional theory, the dissociation of water, hydrogen, methane, and methanol on graphene, h-BN, and their isoelectronic doped counterparts: BN doped graphene and C doped h-BN. We find that doped surfaces are considerably more reactive than their pristine counterparts and by comparing the reactivity of several small molecules, we develop a general framework for dissociative adsorption. From this a particularly attractive consequence of isoelectronic doping emerges: substrates can be doped to enhance their reactivity specifically towards either polar or non-polar adsorbates. As such, these substrates are potentially viable candidates for selective catalysts and membranes, with the implication that a range of tuneable materials can be designed.

Direct current sputtering of boron from boron/boron mixtures

DOEpatents

Timberlake, J.R.; Manos, D.; Nartowitz, E.

1994-12-13

A method for coating a substrate with boron by sputtering includes lowering the electrical resistance of a boron-containing rod to allow electrical conduction in the rod; placing the boron-containing rod inside a vacuum chamber containing substrate material to be coated; applying an electrical potential between the boron target material and the vacuum chamber; countering a current avalanche that commences when the conduction heating rate exceeds the cooling rate, and until a steady equilibrium heating current is reached; and, coating the substrate material with boron by sputtering from the boron-containing rod. 2 figures.

Efficient Boron-Carbon-Nitrogen Nanotube Formation Via Combined Laser-Gas Flow Levitation

NASA Technical Reports Server (NTRS)

Whitney, R. Roy (Inventor); Smith, Michael W. (Inventor); Jordan, Kevin (Inventor)

2015-01-01

A process for producing boron nitride nanotubes and/or boron-carbon-nitrogen nanotubes of the general formula BxCyNz. The process utilizes a combination of laser light and nitrogen gas flow to support a boron ball target during heating of the boron ball target and production of a boron vapor plume which reacts with nitrogen or nitrogen and carbon to produce boron nitride nanotubes and/or boron-carbon-nitrogen nanotubes of the general formula BxCyNz.

Boron Arsenide and Boron Phosphide for High Temperature and Luminescent Devices. [semiconductor devices - crystal growth/crystal structure

NASA Technical Reports Server (NTRS)

Chu, T. L.

1975-01-01

The crystal growth of boron arsenide and boron phosphide in the form of bulk crystals and epitaxial layers on suitable substrates is discussed. The physical, chemical, and electrical properties of the crystals and epitaxial layers are examined. Bulk crystals of boron arsenide were prepared by the chemical transport technique, and their carrier concentration and Hall mobility were measured. The growth of boron arsenide crystals from high temperature solutions was attempted without success. Bulk crystals of boron phosphide were also prepared by chemical transport and solution growth techniques. Techniques required for the fabrication of boron phosphide devices such as junction shaping, diffusion, and contact formation were investigated. Alloying techniques were developed for the formation of low-resistance ohmic contacts to boron phosphide. Four types of boron phosphide devices were fabricated: (1) metal-insulator-boron phosphide structures, (2) Schottky barriers; (3) boron phosphide-silicon carbide heterojunctions; and (4) p-n homojunctions. Easily visible red electroluminescence was observed from both epitaxial and solution grown p-n junctions.

Sputtering Erosion Measurement on Boron Nitride as a Hall Thruster Material

NASA Technical Reports Server (NTRS)

Britton, Melissa; Waters, Deborah; Messer, Russell; Sechkar, Edward; Banks, Bruce

2002-01-01

The durability of a high-powered Hall thruster may be limited by the sputter erosion resistance of its components. During normal operation, a small fraction of the accelerated ions will impact the interior of the main discharge channel, causing its gradual erosion. A laboratory experiment was conducted to simulate the sputter erosion of a Hall thruster. Tests of sputter etch rate were carried out using 300 to 1000 eV Xenon ions impinging on boron nitride substrates with angles of attack ranging from 30 to 75 degrees from horizontal. The erosion rates varied from 3.41 to 14.37 Angstroms/[sec(mA/sq cm)] and were found to depend on the ion energy and angle of attack, which is consistent with the behavior of other materials.

Small-scale Conformity of the Virgo Cluster Galaxies

NASA Astrophysics Data System (ADS)

Lee, Hye-Ran; Lee, Joon Hyeop; Jeong, Hyunjin; Park, Byeong-Gon

2016-06-01

We investigate the small-scale conformity in color between bright galaxies and their faint companions in the Virgo Cluster. Cluster member galaxies are spectroscopically determined using the Extended Virgo Cluster Catalog and the Sloan Digital Sky Survey Data Release 12. We find that the luminosity-weighted mean color of faint galaxies depends on the color of adjacent bright galaxy as well as on the cluster-scale environment (gravitational potential index). From this result for the entire area of the Virgo Cluster, it is not distinguishable whether the small-scale conformity is genuine or if it is artificially produced due to cluster-scale variation of galaxy color. To disentangle this degeneracy, we divide the Virgo Cluster area into three sub-areas so that the cluster-scale environmental dependence is minimized: A1 (central), A2 (intermediate), and A3 (outermost). We find conformity in color between bright galaxies and their faint companions (color-color slope significance S ˜ 2.73σ and correlation coefficient {cc}˜ 0.50) in A2, where the cluster-scale environmental dependence is almost negligible. On the other hand, the conformity is not significant or very marginal (S ˜ 1.75σ and {cc}˜ 0.27) in A1. The conformity is not significant either in A3 (S ˜ 1.59σ and {cc}˜ 0.44), but the sample size is too small in this area. These results are consistent with a scenario in which the small-scale conformity in a cluster is a vestige of infallen groups and these groups lose conformity as they come closer to the cluster center.

Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride.

PubMed

Takahashi, Lauren; Takahashi, Keisuke

2017-03-27

An octagonal allotrope of two dimensional boron nitride is explored through first principles calculations. Calculations show that two dimensional octagonal boron nitride can be formed with a binding energy comparable to two dimensional hexagonal boron nitride. In addition, two dimensional octagonal boron nitride is found to have a band gap smaller than two dimensional hexagonal boron nitride, suggesting the possibility of semiconductive attributes. Two dimensional octagonal boron nitride also has the ability to layer through physisorption. Defects present within two dimensional octagonal boron nitride also lead toward the introduction of a magnetic moment through the absence of boron atoms. The presence of defects is also found to render both hexagonal and octagonal boron nitrides reactive against hydrogen, where greater reactivity is seen in the presence of nitrogen. Thus, two dimensional octagonal boron nitride is confirmed with potential to tailor properties and reactivity through lattice shape and purposeful introduction of defects.

In vivo and in vitro effects of boron and boronated compounds.

PubMed

Benderdour, M; Bui-Van, T; Dicko, A; Belleville, F

1998-03-01

Boron is ubiquitously present in soils and water. Associated with pectin it is essential for vascular plants as a component of cell walls, and it stabilizes cell membranes. It is required for the growth of pollen tubes and is involved in membrane transport, stimulating H(+)-pumping ATPase activity and K+ uptake. However, a high boron concentration in the soils is toxic to plants and some boronated derivatives are used as herbicides. An absolute requirement for boron has not been definitively demonstrated in animals and humans. However, experiments with boron supplementation or deprivation show that boron is involved in calcium and bone metabolism, and its effects are more marked when other nutrients (cholecalciferol, magnesium) are deficient. Boron supplementation increases the serum concentration of 17 beta-estradiol and testosterone but boron excess has toxic effects on reproductive function. Boron may be involved in cerebral function via its effects on the transport across membranes. It affects the synthesis of the extracellular matrix and is beneficial in wound healing. Usual dietary boron consumption in humans is 1-2 mg/day for adults. As boron has been shown to have biological activity, research into the chemistry of boronated compounds has increased. Boronated compounds have been shown to be potent anti-osteoporotic, anti-inflammatory, hypolipemic, anti-coagulant and anti-neoplastic agents both in vitro and in vivo in animals.

Efficient boron-carbon-nitrogen nanotube formation via combined laser-gas flow levitation

DOEpatents

Whitney, R Roy; Jordan, Kevin; Smith, Michael W

2015-03-24

A process for producing boron nitride nanotubes and/or boron-carbon-nitrogen nanotubes of the general formula B.sub.xC.sub.yN.sub.z. The process utilizes a combination of laser light and nitrogen gas flow to support a boron ball target during heating of the boron ball target and production of a boron vapor plume which reacts with nitrogen or nitrogen and carbon to produce boron nitride nanotubes and/or boron-carbon-nitrogen nanotubes of the general formula B.sub.xC.sub.yN.sub.z.

Efficient boron nitride nanotube formation via combined laser-gas flow levitation

DOEpatents

Whitney, R. Roy; Jordan, Kevin; Smith, Michael

2014-03-18

A process for producing boron nitride nanotubes and/or boron-carbon-nitrogen nanotubes of the general formula B.sub.xC.sub.yN.sub.z. The process utilizes a combination of laser light and nitrogen gas flow to support a boron ball target during heating of the boron ball target and production of a boron vapor plume which reacts with nitrogen or nitrogen and carbon to produce boron nitride nanotubes and/or boron-carbon-nitrogen nanotubes of the general formula B.sub.xC.sub.yN.sub.z.

Efficient Boron Nitride Nanotube Formation via Combined Laser-Gas Flow Levitation

NASA Technical Reports Server (NTRS)

Whitney, R. Roy (Inventor); Jordan, Kevin (Inventor); Smith, Michael W. (Inventor)

2014-01-01

A process for producing boron nitride nanotubes and/or boron-carbon-nitrogen nanotubes of the general formula B(sub x)C(sub y)N(sub z) The process utilizes a combination of laser light and nitrogen gas flow to support a boron ball target during heating of the boron ball target and production of a boron vapor plume which reacts with nitrogen or nitrogen and carbon to produce boron nitride nanotubes and/or boron-carbon-nitrogen nanotubes of the general formula B(sub x)C(sub y)N(sub z).

Direct current sputtering of boron from boron/coron mixtures

DOEpatents

Timberlake, John R.; Manos, Dennis; Nartowitz, Ed

1994-01-01

A method for coating a substrate with boron by sputtering includes lowering the electrical resistance of a boron-containing rod to allow electrical conduction in the rod; placing the boron-containing rod inside a vacuum chamber containing substrate material to be coated; applying an electrical potential between the boron target material and the vacuum chamber; countering a current avalanche that commences when the conduction heating rate exceeds the cooling rate, and until a steady equilibrium heating current is reached; and, coating the substrate material with boron by sputtering from the boron-containing rod.

Boron stress response and accumulation potential of the extremely tolerant species Puccinellia frigida.

PubMed

Rámila, Consuelo D P; Contreras, Samuel A; Di Domenico, Camila; Molina-Montenegro, Marco A; Vega, Andrea; Handford, Michael; Bonilla, Carlos A; Pizarro, Gonzalo E

2016-11-05

Phytoremediation is a promising technology to tackle boron toxicity, which restricts agricultural activities in many arid and semi-arid areas. Puccinellia frigida is a perennial grass that was reported to hyperaccumulate boron in extremely boron-contaminated sites. To further investigate its potential for phytoremediation, we determined its response to boron stress under controlled conditions (hydroponic culture). Also, as a first step towards understanding the mechanisms underlying its extreme tolerance, we evaluated the presence and expression of genes related with boron tolerance. We found that P. frigida grew normally even at highly toxic boron concentrations in the medium (500mg/L), and within its tissues (>5000mg/kg DW). We postulate that the strategies conferring this extreme tolerance involve both restricting boron accumulation and an internal tolerance mechanism; this is consistent with the identification of putative genes involved in both mechanisms, including the expression of a possible boron efflux transporter. We also found that P. frigida hyperaccumulated boron over a wide range of boron concentrations. We propose that P. frigida could be used for boron phytoremediation strategies in places with different soil characteristics and boron concentrations. Further studies should pave the way for the development of clean and low-cost solutions to boron toxicity problems. Copyright © 2016 Elsevier B.V. All rights reserved.

Atmospheric contribution to boron enrichment in aboveground wheat tissues.

PubMed

Wang, Cheng; Ji, Junfeng; Chen, Mindong; Zhong, Cong; Yang, Zhongfang; Browne, Patrick

2017-05-01

Boron is an essential trace element for all organisms and has both beneficial and harmful biological functions. A particular amount of boron is discharged into the environment every year because of industrial activities; however, the effects of environmental boron emissions on boron accumulation in cereals has not yet been estimated. The present study characterized the accumulation of boron in wheat under different ecological conditions in the Yangtze River Delta (YRD) area. This study aimed to estimate the effects of atmospheric boron that is associated with industrial activities on boron accumulation in wheat. The results showed that the concentrations of boron in aboveground wheat tissues from the highly industrialized region were significantly higher than those from the agriculture-dominated region, even though there was no significant difference in boron content in soils. Using the model based on the translocation coefficients of boron in the soil-wheat system, we estimated that the contribution of atmosphere to boron accumulation in wheat straw in the highly industrialized region exceeded that in the agriculture-dominated region by 36%. In addition, from the environmental implication of the model, it was estimated that the development of boron-utilizing industries had elevated the concentration of boron in aboveground wheat tissues by 28-53%. Copyright © 2017 Elsevier Ltd. All rights reserved.

Identification of a Novel System for Boron Transport: Atr1 Is a Main Boron Exporter in Yeast▿ †

PubMed Central

Kaya, Alaattin; Karakaya, Huseyin C.; Fomenko, Dmitri E.; Gladyshev, Vadim N.; Koc, Ahmet

2009-01-01

Boron is a micronutrient in plants and animals, but its specific roles in cellular processes are not known. To understand boron transport and functions, we screened a yeast genomic DNA library for genes that confer resistance to the element in Saccharomyces cerevisiae. Thirty boron-resistant transformants were isolated, and they all contained the ATR1 (YML116w) gene. Atr1 is a multidrug resistance transport protein belonging to the major facilitator superfamily. C-terminal green fluorescent protein-tagged Atr1 localized to the cell membrane and vacuole, and ATR1 gene expression was upregulated by boron and several stress conditions. We found that atr1Δ mutants were highly sensitive to boron treatment, whereas cells overexpressing ATR1 were boron resistant. In addition, atr1Δ cells accumulated boron, whereas ATR1-overexpressing cells had low intracellular levels of the element. Furthermore, atr1Δ cells showed stronger boron-dependent phenotypes than mutants deficient in genes previously reported to be implicated in boron metabolism. ATR1 is widely distributed in bacteria, archaea, and lower eukaryotes. Our data suggest that Atr1 functions as a boron efflux pump and is required for boron tolerance. PMID:19414602

Method for enhancing the solubility of dopants in silicon

DOEpatents

Sadigh, Babak; Lenosky, Thomas J.; De La Rubia, Tomas Diaz

2003-09-30

A method for enhancing the equilibrium solid solubility of dopants in silicon, germanium and silicon-germanium alloys. The method involves subjecting silicon-based substrate to biaxial or compression strain. It has been determined that boron solubility was largely enhanced (more than 100%) by a compressive bi-axial strain, based on a size-mismatch theory since the boron atoms are smaller than the silicon atoms. It has been found that the large enhancement or mixing properties of dopants in silicon and germanium substrates is primarily governed by their, and to second order by their size-mismatch with the substrate. Further, it has been determined that the dopant solubility enhancement with strain is most effective when the charge and the size-mismatch of the impurity favor the same type of strain. Thus, the solid solubility of small p-type (e.g., boron) as well as large n-type (e.g., arsenic) dopants can be raised most dramatically by appropriate bi-axial (compressive) strain, and that solubility of a large p-type dopant (e.g, indium) in silicon will be raised due to size-mismatch with silicon, which favors tensile strain, while its negative charge prefers compressive strain, and thus the two effects counteract each other.

Burning characteristics and fiber retention of graphite/resin matrix composites

NASA Technical Reports Server (NTRS)

Bowles, K. J.

1980-01-01

Graphite fiber reinforced resin matrix composites were subjected to controlled burning conditions to determine their burning characteristics and fiber retention properties. Small samples were burned with a natural gas fired torch to study the effects of fiber orientation and structural flaws such as holes and slits that were machined into the laminates. Larger laminate samples were burned in a modified heat release rate calorimeter. Unidirectional epoxy/graphite and polyimide/graphite composites and boron powder filled samples of each of the two composite systems were burn tested. The composites were exposed to a thermal radiation of 5.3 Btu/sq ft-sec in air. Samples of each of the unfilled composite were decomposed anaerobically in the calorimeter. Weight loss data were recorded for burning and decomposition times up to thirty-five minutes. The effects of fiber orientation, flaws, and boron filler additives to the resins were evaluated. A high char forming polyimide resin was no more effective in retaining graphite fibers than a low char forming epoxy resin when burned in air. Boron powder additions to both the polyimide and the epoxy resins stabilized the chars and effectively controlled the fiber release.

Signatures of Phonon and Defect-Assisted Tunneling in Planar Metal-Hexagonal Boron Nitride-Graphene Junctions.

PubMed

Chandni, U; Watanabe, K; Taniguchi, T; Eisenstein, J P

2016-12-14

Electron tunneling spectroscopy measurements on van der Waals heterostructures consisting of metal and graphene (or graphite) electrodes separated by atomically thin hexagonal boron nitride tunnel barriers are reported. The tunneling conductance, dI/dV, at low voltages is relatively weak, with a strong enhancement reproducibly observed to occur at around |V| ≈ 50 mV. While the weak tunneling at low energies is attributed to the absence of substantial overlap, in momentum space, of the metal and graphene Fermi surfaces, the enhancement at higher energies signals the onset of inelastic processes in which phonons in the heterostructure provide the momentum necessary to link the Fermi surfaces. Pronounced peaks in the second derivative of the tunnel current, d 2 I/dV 2 , are observed at voltages where known phonon modes in the tunnel junction have a high density of states. In addition, features in the tunneling conductance attributed to single electron charging of nanometer-scale defects in the boron nitride are also observed in these devices. The small electronic density of states of graphene allows the charging spectra of these defect states to be electrostatically tuned, leading to "Coulomb diamonds" in the tunneling conductance.

Ab Initio Simulations and Electronic Structure of Lithium-Doped Ionic Liquids: Structure, Transport, and Electrochemical Stability.

PubMed

Haskins, Justin B; Bauschlicher, Charles W; Lawson, John W

2015-11-19

Density functional theory (DFT), density functional theory molecular dynamics (DFT-MD), and classical molecular dynamics using polarizable force fields (PFF-MD) are employed to evaluate the influence of Li(+) on the structure, transport, and electrochemical stability of three potential ionic liquid electrolytes: N-methyl-N-butylpyrrolidinium bis(trifluoromethanesulfonyl)imide ([pyr14][TFSI]), N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide ([pyr13][FSI]), and 1-ethyl-3-methylimidazolium boron tetrafluoride ([EMIM][BF4]). We characterize the Li(+) solvation shell through DFT computations of [Li(Anion)n]((n-1)-) clusters, DFT-MD simulations of isolated Li(+) in small ionic liquid systems, and PFF-MD simulations with high Li-doping levels in large ionic liquid systems. At low levels of Li-salt doping, highly stable solvation shells having two to three anions are seen in both [pyr14][TFSI] and [pyr13][FSI], whereas solvation shells with four anions dominate in [EMIM][BF4]. At higher levels of doping, we find the formation of complex Li-network structures that increase the frequency of four anion-coordinated solvation shells. A comparison of computational and experimental Raman spectra for a wide range of [Li(Anion)n]((n-1)-) clusters shows that our proposed structures are consistent with experiment. We then compute the ion diffusion coefficients and find measures from small-cell DFT-MD simulations to be the correct order of magnitude, but influenced by small system size and short simulation length. Correcting for these errors with complementary PFF-MD simulations, we find DFT-MD measures to be in close agreement with experiment. Finally, we compute electrochemical windows from DFT computations on isolated ions, interacting cation/anion pairs, and liquid-phase systems with Li-doping. For the molecular-level computations, we generally find the difference between ionization energy and electron affinity from isolated ions and interacting cation/anion pairs to provide upper and lower bounds, respectively, to experiment. In the liquid phase, we find the difference between the lowest unoccupied and highest occupied electronic levels in pure and hybrid functionals to provide lower and upper bounds, respectively, to experiment. Li-doping in the liquid-phase systems results in electrochemical windows little changed from the neat systems.

Alkynyl Moiety for Triggering 1,2‐Metallate Shifts: Enantiospecific sp2–sp3 Coupling of Boronic Esters with p‐Arylacetylenes

PubMed Central

Ganesh, Venkataraman; Odachowski, Marcin

2017-01-01

Abstract The enantiospecific coupling of secondary and tertiary boronic esters to aromatics has been investigated. Using p‐lithiated phenylacetylenes and a range of boronic esters coupling has been achieved by the addition of N‐bromosuccinimide (NBS). The alkyne functionality of the intermediate boronate complex reacts with NBS triggering the 1,2‐migration of the group on boron to carbon giving a dearomatized bromoallene intermediate. At this point elimination and rearomatization occurs with neopentyl boronic esters, giving the coupled products. However, using pinacol boronic esters, the boron moiety migrates to the adjacent carbon resulting in formation of ortho boron‐incorporated coupled products. The synthetic utility of the boron incorporated product has been demonstrated by orthogonal transformation of both the alkyne and boronic ester functionalities. PMID:28618129

BORON ABUNDANCES ACROSS THE “Li–Be DIP” IN THE HYADES CLUSTER

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

Boesgaard, Ann Merchant; Lum, Michael G.; Deliyannis, Constantine P.

2016-10-10

Dramatic deficiencies of Li in the mid-F dwarf stars of the Hyades cluster were discovered by Boesgaard and Tripicco. Boesgaard and King discovered corresponding, but smaller, deficiencies in Be in the same narrow temperature region in the Hyades. Using the Space Telescope Imaging Spectrograph on the Hubble Space Telescope , we investigate B abundances in the Hyades F stars to look for a potential B dip using the B i resonance line at 2496.8 Å. The light elements Li, Be, and B are destroyed inside stars at increasingly hotter temperatures: 2.5, 3.5, and 5 × 10{sup 6} K, respectively. Consequently,more » these elements survive to increasingly greater depths in a star and their surface abundances indicate the depth and thoroughness of mixing in the star. We have (re)determined Li abundances/upper limits for 79 Hyades dwarfs, Be for 43 stars, and B for 5 stars. We find evidence for a small drop in the B abundance across the Li–Be dip. The B abundances for the four stars in the temperature range 6100–6730 K fit the B–Be correlation found previously by Boesgaard et al. Models of rotational mixing produce good agreement with the relative depletions of Be and B in the dip region. We have compared our nLTE B abundances for the three high B stars on either side of the Li–Be dip with those found by Duncan et al. for the two Hyades giants. This confirms the factor of 10 decline in the B abundance in the Hyades giants as predicted by dilution due to the deepening of the surface convection zone.« less

Quantifying substructures in Hubble Frontier Field clusters: comparison with ΛCDM simulations

DOE PAGES

Mohammed, Irshad; Saha, Prasenjit; Williams, Liliya L. R.; ...

2016-04-13

The Hubble Frontier Fields (HFF) are six clusters of galaxies, all showing indications of recent mergers, which have recently been observed for lensed images. As such they are the natural laboratories to study the merging history of galaxy clusters. In this work, we explore the 2D power spectrum of the mass distributionmore » $$P_{\\rm M}(k)$$ as a measure of substructure. We compare $$P_{\\rm M}(k)$$ of these clusters (obtained using strong gravitational lensing) to that of $$\\Lambda$$CDM simulated clusters of similar mass. In order to compute lensing $$P_{\\rm M}(k)$$, we produced free-form lensing mass reconstructions of HFF clusters, without any light traces mass (LTM) assumption. Moreover, the inferred power at small scales tends to be larger if (i)~the cluster is at lower redshift, and/or (ii)~there are deeper observations and hence more lensed images. In contrast, lens reconstructions assuming LTM show higher power at small scales even with fewer lensed images; it appears the small scale power in the LTM reconstructions is dominated by light information, rather than the lensing data. The average lensing derived $$P_{\\rm M}(k)$$ shows lower power at small scales as compared to that of simulated clusters at redshift zero, both dark-matter only and hydrodynamical. The possible reasons are: (i)~the available strong lensing data are limited in their effective spatial resolution on the mass distribution, (ii)~HFF clusters have yet to build the small scale power they would have at $$z\\sim 0$$, or (iii)~simulations are somehow overestimating the small scale power.« less

Methods of producing continuous boron carbide fibers

DOEpatents

Garnier, John E.; Griffith, George W.

2015-12-01

Methods of producing continuous boron carbide fibers. The method comprises reacting a continuous carbon fiber material and a boron oxide gas within a temperature range of from approximately 1400.degree. C. to approximately 2200.degree. C. Continuous boron carbide fibers, continuous fibers comprising boron carbide, and articles including at least a boron carbide coating are also disclosed.

In Vivo Boron Uptake Determination for Boron Neutron Capture Synovectomy

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

Binello, Emanuela; Shortkroff, Sonya; Yanch, Jacquelyn C.

1999-06-06

Boron neutron capture synovectomy (BNCS) has been proposed as a new application of the boron neutron capture reaction for the treatment of rheumatoid arthritis. In BNCS, a boron compound is injected into the joint space, where it is taken up by the synovium. The joint is then irradiated with neutrons of a desired energy range, inducing the boron neutron capture reaction in boron-loaded cells. Boron uptake by the synovium is an important parameter in the assessment of the potential of BNCS and in the determination of whether to proceed to animal irradiations for the testing of therapeutic efficacy. We presentmore » results from an investigation of boron uptake in vivo by the synovium.« less

Resolving the problem of galaxy clustering on small scales: any new physics needed?

NASA Astrophysics Data System (ADS)

Kang, X.

2014-02-01

Galaxy clustering sets strong constraints on the physics governing galaxy formation and evolution. However, most current models fail to reproduce the clustering of low-mass galaxies on small scales (r < 1 Mpc h-1). In this paper, we study the galaxy clusterings predicted from a few semi-analytical models. We first compare two Munich versions, Guo et al. and De Lucia & Blaizot. The Guo11 model well reproduces the galaxy stellar mass function, but overpredicts the clustering of low-mass galaxies on small scales. The DLB07 model provides a better fit to the clustering on small scales, but overpredicts the stellar mass function. These seem to be puzzling. The clustering on small scales is dominated by galaxies in the same dark matter halo, and there is slightly more fraction of satellite galaxies residing in massive haloes in the Guo11 model, which is the dominant contribution to the clustering discrepancy between the two models. However, both models still overpredict the clustering at 0.1 < r < 10 Mpc h-1 for low-mass galaxies. This is because both models overpredict the number of satellites by 30 per cent in massive haloes than the data. We show that the Guo11 model could be slightly modified to simultaneously fit the stellar mass function and clusterings, but that cannot be easily achieved in the DLB07 model. The better agreement of DLB07 model with the data actually comes as a coincidence as it predicts too many low-mass central galaxies which are less clustered and thus brings down the total clustering. Finally, we show the predictions from the semi-analytical models of Kang et al. We find that this model can simultaneously fit the stellar mass function and galaxy clustering if the supernova feedback in satellite galaxies is stronger. We conclude that semi-analytical models are now able to solve the small-scales clustering problem, without invoking of any other new physics or changing the dark matter properties, such as the recent favoured warm dark matter.

Fragment approach to the electronic structure of τ -boron allotrope

NASA Astrophysics Data System (ADS)

Karmodak, Naiwrit; Jemmis, Eluvathingal D.

2017-04-01

The presence of nonconventional bonding features is an intriguing part of elemental boron. The recent addition of τ boron to the family of three-dimensional boron allotropes is no exception. We provide an understanding of the electronic structure of τ boron using a fragment molecular approach, where the effect of symmetry reduction on skeletal bands of B12 and the B57 fragments are examined qualitatively by analyzing the projected density of states of these fragments. In spite of the structural resemblance to β boron, the reduction of symmetry from a rhombohedral space group to the orthorhombic one destabilizes the bands and reduces the electronic requirements. This suggests the presence of the partially occupied boron sites, as seen for a β boron unit cell, and draws the possibility for the existence of different energetically similar polymorphs. τ boron has a lower binding energy than β boron.

PREFACE: The 16th International Symposium on Boron, Borides and Related Materials (ISBB 2008)

NASA Astrophysics Data System (ADS)

Tanaka, Takaho

2009-07-01

This volume of Journal of Physics: Conference Series contains invited and contributed peer-reviewed papers that were presented at the 16th International Symposium on Boron, Borides and Related Materials (ISBB 2008), which was held on 7-12 September 2008, at Kunibiki Messe, Matsue, Japan. This triennial symposium has a half-century long history starting from the 1st meeting in 1959 at Asbury Park, New Jersey. We were very pleased to organize ISBB 2008, which gathered chemists, physicists, materials scientists as well as diamond and high-pressure researchers. This meeting had a strong background in the boron-related Japanese research history, which includes the discovery of superconductivity in MgB2 and development of Nd-Fe-B hard magnets and of YB66 soft X-ray monochromator. The scope of ISBB 2008 spans both basic and applied interdisciplinary research that is centered on boron, borides and related materials, and the collection of articles defines the state of the art in research on these materials. The topics are centered on: 1. Preparation of new materials (single crystals, thin films, nanostructures, ceramics, etc) under normal or extreme conditions. 2. Crystal structure and chemical bonding (new crystal structures, nonstoichiometry, defects, clusters, quantum-chemical calculations). 3. Physical and chemical properties (band structure, phonon spectra, superconductivity; optical, electrical, magnetic, emissive, mechanical properties; phase diagrams, thermodynamics, catalytic activity, etc) in a wide range of temperatures and pressures. 4. Applications and prospects (thermoelectric converters, composites, ceramics, coatings, etc) There were a few discoveries of new materials, such as nanomaterials, and developments in applications. Many contributions were related to 4f heavy Fermion systems of rare-earth borides. Exotic mechanisms of magnetism and Kondo effects have been discussed, which may indicate another direction of development of boride. Two special sessions, 'Boron chemistry' and 'Superconductivity', were also held at the symposium. The session on Boron chemistry was planned to honor the scientific work in boron chemistry of Professor J Bauer on the occasion of his retirement. Many recent results were discussed in the session, and Professor Bauer himself introduced novel rare-earth-boron-carbon compounds RE10B7C10 (RE = Gd - Er) in his lecture. In the latter session, on the basis of recent discoveries of superconductivity in MgB2 and in β-boron under high pressure, the superconductivity of boron and related materials was discussed and the superconductivity of boron-doped diamond was also addressed. More than 120 participants from 16 countries attended the ISBB 2008, and active presentations (22 invited, 33 oral and 68 posters) and discussions suggest that research on boron and borides is entering a new phase of development. This volume contains 46 articles from 52 submitted manuscripts. The reviewers were invited not only from symposium participants but also from specialists worldwide, and they did a great job of evaluating and commenting on the submitted manuscripts to maintain the highest quality standard of this volume. Recent discoveries of superconductivity in boron under high pressure, synthesis of a new allotrope of boron and of various boron and boride nanostructures will lead this highly interdisciplinary field of science, which will further grow and gain attention in terms of both basic and applied research. In this context, we are very much looking forward to the next symposium, which will be held in Istanbul, Turkey, in 2011, organized by Professor Onuralp Yucel, Istanbul Technical University. Turkey currently has the world highest share of borate production and is expected to be involved more in boron-related research. Acknowledgements We gratefully acknowledge the style improvement by Dr K Iakoubovskii, and sincerely thank Shimane Prefecture and Matsue City for their financial support. The symposium was also supported by Tokyo University of Science, Suwa and foundations including, the Kajima Foundation, Foundation for Promotion of Material Science and Technology of Japan and Nippon Sheet Glass Foundation for Materials Science and Engineering, as well as companies including JFE Steel Corporation, Shincron Co, Ltd, Toyo Kohan Co, Ltd, Fukuda Metal Foil and Powder Co, Ltd, Japan New Metals Co, Ltd, H C Starck Ltd and Fritsch Japan Co, Ltd. Editors Chair Takaho Tanaka (National Institute for Materials Science, Japan) Vice chairs Koun Shirai (Osaka University, Japan) Kaoru Kimura (The University of Tokyo, Japan) Ken-ichi Takagi (Tokyo City University, Japan) Touetsu Shishido (Tohoku University, Japan) Shigeru Okada (Kokushikan University) Hideaki Itoh (Nagoya University,Japan) Katsumitsu Nakamura (Nihon University, Japan) Organizing committee of ISBB 2008 K Takagi Chairman (Tokyo City University) T Tanaka Program Committee Chairman (National Institute for Materials Science) K Kimura Secretary (The University of Tokyo) J Akimitsu (Aoyama University)K Shirai (Osaka University) H Itoh (Nagoya University)T Shishido (Tohoku University) K Nakamura (Nihon University)K Soga (Tokyo University of Science) K Nishiyama (Tokyo University of Science, Suwa)M Takeda (Nagaoka University of Technology) S Okada (Kokushikan University)Y Yamazaki (Toyo Kohan Co, Ltd) International Scientific Committee 0f ISBB (2008-2011) K Takagi Chairman (Japan) B Albert (Germany) J-F Halet (France) M Takeda (Japan) M Antadze (Georgia) H Hillebrecht (Germany) T Tanaka (Japan) J Bauer (France) W Jung (Germany) R Telle (Germany) I Boustani (Germany) K Kimura (Japan) M Trenary (USA) D Emin (USA) T Mori (Japan) O Tsagareishvili (Georgia) M Engler (Germany) P D Ownby (USA) H Werheit (Germany) N Frage (Israel) P Rogl (Austria) G Will (Germany) Yu Grin (Germany) S Shalamberidze (Georgia) O Yucel (Turkey) V N Gurin (Russia) N Shitsevalova (Ukraine) G Zhang (China)

The Physiological Role of Boron on Health.

PubMed

Khaliq, Haseeb; Juming, Zhong; Ke-Mei, Peng

2018-03-15

Boron is an essential mineral that plays an important role in several biological processes. Boron is required for growth of plants, animals, and humans. There are increasing evidences of this nutrient showing a variety of pleiotropic effects, ranging from anti-inflammatory and antioxidant effects to the modulation of different body systems. In the past few years, the trials showed disease-related polymorphisms of boron in different species, which has drawn attention of scientists to the significance of boron to health. Low boron profile has been related with poor immune function, increased risk of mortality, osteoporosis, and cognitive deterioration. High boron status revealed injury to cell and toxicity in different animals and humans. Some studies have shown some benefits of higher boron status, but findings have been generally mixed, which perhaps accentuates the fact that dietary intake will benefit only if supplemental amount is appropriate. The health benefits of boron are numerous in animals and humans; for instance, it affects the growth at safe intake. Central nervous system shows improvement and immune organs exhibit enhanced immunity with boron supplementation. Hepatic metabolism also shows positive changes in response to dietary boron intake. Furthermore, animals and human fed diets supplemented with boron reveal improved bone density and other benefits including embryonic development, wound healing, and cancer therapy. It has also been reported that boron affects the metabolism of several enzymes and minerals. In the background of these health benefits, low or high boron status is giving cause for concern. Additionally, researches are needed to further elucidate the mechanisms of boron effects, and determine the requirements in different species.

Rapid reversible borane to boryl hydride exchange by metal shuttling on the carborane cluster surface† †Electronic supplementary information (ESI) available. CCDC 1545735 and 1545736. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc01846k

PubMed Central

Eleazer, Bennett J.; Smith, Mark D.

2017-01-01

In this work, we introduce a novel concept of a borane group vicinal to a metal boryl bond acting as a supporting hemilabile ligand in exohedrally metalated three-dimensional carborane clusters. The (POBOP)Ru(Cl)(PPh3) pincer complex (POBOP = 1,7-OP(i-Pr)2-m-2-carboranyl) features extreme distortion of the two-center-two-electron Ru–B bond due to the presence of a strong three-center-two-electron B–H···Ru vicinal interaction. Replacement of the chloride ligand with a hydride afforded the (POBOP)Ru(H)(PPh3) pincer complex, which possesses B–Ru, B–H···Ru, and Ru–H bonds. This complex was found to exhibit a rapid exchange between hydrogen atoms of the borane and the terminal hydride through metal center shuttling between two boron atoms of the carborane cage. This exchange process, which involves sequential cleavage and formation of strong covalent metal–boron and metal–hydrogen bonds, is unexpectedly facile at temperatures above –50 °C corresponding to an activation barrier of 12.2 kcal mol–1. Theoretical calculations suggested two equally probable pathways for the exchange process through formally Ru(0) or Ru(iv) intermediates, respectively. The presence of this hemilabile vicinal B–H···Ru interaction in (POBOP)Ru(H)(PPh3) was found to stabilize a latent coordination site at the metal center promoting efficient catalytic transfer dehydrogenation of cyclooctane under nitrogen and air at 170 °C. PMID:28970919

Zr 2Ir 6B with an eightfold superstructure of the cubic perovskite-like boride ZrIr 3B 0.5: Synthesis, crystal structure and bonding analysis

NASA Astrophysics Data System (ADS)

Hermus, Martin; Fokwa, Boniface P. T.

2010-04-01

Single phase powder samples and single crystals of Zr 2Ir 6B were successfully synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere. Superstructure reflections were observed both on powder and on single crystal diffraction data, leading to an eightfold superstructure of ZrIr 3B x phase. The new phase, which has a metallic luster, crystallizes in space group Fm3¯m (no. 225) with the lattice parameters a=7.9903(4) Å, V=510.14(4) Å 3. Its crystal structure was refined on the basis of powder as well as single crystal data. The single crystal refinement converged to R1=0.0239 and w R2=0.0624 for all 88 unique reflections and 6 parameters. Zr 2Ir 6B is isotypic to Ti 2Rh 6B and its structure can be described as a defect double perovskite, A2BB' O6, where the A site is occupied by zirconium, the B site by boron, the O site by iridium but the B' site is vacant, leading to the formation of empty and boron-filled octahedral Ir 6 clusters. According to the result of tight-binding electronic structure calculations, Ir-B and Ir-Zr interactions are mainly responsible for the structural stability of the phase. According to COHP bonding analysis, the strongest bonding occurs for the Ir-B contacts, and the Ir-Ir bonding within the empty clusters is two times stronger than that in the BIr 6 octahedra.

Identification of novel inhibitors of the SARS coronavirus main protease 3CLpro.

PubMed

Bacha, Usman; Barrila, Jennifer; Velazquez-Campoy, Adrian; Leavitt, Stephanie A; Freire, Ernesto

2004-05-04

SARS (severe acute respiratory syndrome) is caused by a newly discovered coronavirus. A key enzyme for the maturation of this virus and, therefore, a target for drug development is the main protease 3CL(pro) (also termed SARS-CoV 3CL(pro)). We have cloned and expressed in Escherichia coli the full-length SARS-CoV 3CL(pro) as well as a truncated form containing only the catalytic domains. The recombinant proteins have been characterized enzymatically using a fluorescently labeled substrate; their structural stability in solution has been determined by differential scanning calorimetry, and novel inhibitors have been discovered. Expression of the catalytic region alone yields a protein with a reduced catalytic efficiency consistent with the proposed regulatory role of the alpha-helical domain. Differential scanning calorimetry indicates that the alpha-helical domain does not contribute to the structural stability of the catalytic domains. Analysis of the active site cavity reveals the presence of subsites that can be targeted with specific chemical functionalities. In particular, a cluster of serine residues (Ser139, Ser144, and Ser147) was identified near the active site cavity and was susceptible to being targeted by compounds containing boronic acid. This cluster is highly conserved in similar proteases from other coronaviruses, defining an attractive target for drug development. It was found that bifunctional aryl boronic acid compounds were particularly effective at inhibiting the protease, with inhibition constants as strong as 40 nM. Isothermal titration microcalorimetric experiments indicate that these inhibitors bind reversibly to 3CL(pro) in an enthalpically favorable fashion, implying that they establish strong interactions with the protease molecule, thus defining attractive molecular scaffolds for further optimization.

Boron nitride composites

DOEpatents

Kuntz, Joshua D.; Ellsworth, German F.; Swenson, Fritz J.; Allen, Patrick G.

2017-02-21

According to one embodiment, a composite product includes: a matrix material including hexagonal boron nitride and one or more borate binders; and a plurality of cubic boron nitride particles dispersed in the matrix material. According to another embodiment, a composite product includes: a matrix material including hexagonal boron nitride and amorphous boron nitride; and a plurality of cubic boron nitride particles dispersed in the matrix material.

The major facilitator superfamily transporter Knq1p modulates boron homeostasis in Kluyveromyces lactis.

PubMed

Svrbicka, Alexandra; Toth Hervay, Nora; Gbelska, Yvetta

2016-03-01

Boron is an essential micronutrient for living cells, yet its excess causes toxicity. To date, the mechanisms of boron toxicity are poorly understood. Recently, the ScATR1 gene has been identified encoding the main boron efflux pump in Saccharomyces cerevisiae. In this study, we analyzed the ScATR1 ortholog in Kluyveromyces lactis--the KNQ1 gene, to understand whether it participates in boron stress tolerance. We found that the KNQ1 gene, encoding a permease belonging to the major facilitator superfamily, is required for K. lactis boron tolerance. Deletion of the KNQ1 gene led to boron sensitivity and its overexpression increased K. lactis boron tolerance. The KNQ1 expression was induced by boron and the intracellular boron concentration was controlled by Knq1p. The KNQ1 promoter contains two putative binding motifs for the AP-1-like transcription factor KlYap1p playing a central role in oxidative stress defense. Our results indicate that the induction of the KNQ1 expression requires the presence of KlYap1p and that Knq1p like its ortholog ScAtr1p in S. cerevisiae functions as a boron efflux pump providing boron resistance in K. lactis.

Electron paramagnetic resonance of deep boron in silicon carbide

NASA Astrophysics Data System (ADS)

Baranov, P. G.; Mokhov, E. N.

1996-04-01

In this article we report the first EPR observation of deep boron centres in silicon carbide. A direct identification of the boron atom involved in the defect centre, considered as deep boron, has been established by the presence of a hyperfine interaction with 0268-1242/11/4/005/img1 and 0268-1242/11/4/005/img2 nuclei in isotope-enriched 6H-SiC:B crystals. Deep boron centres were shown from EPR spectra to have axial symmetry along the hexagonal axis. A correspondence between the EPR spectra and the luminescence, ODMR and DLTS spectra of deep boron centres has been indicated. The structural model for a deep boron centre as a boron - vacancy pair is presented and the evidence for bistable behaviour of deep boron centres is discussed.

Method of manufacture of atomically thin boron nitride

DOEpatents

Zettl, Alexander K

2013-08-06

The present invention provides a method of fabricating at least one single layer hexagonal boron nitride (h-BN). In an exemplary embodiment, the method includes (1) suspending at least one multilayer boron nitride across a gap of a support structure and (2) performing a reactive ion etch upon the multilayer boron nitride to produce the single layer hexagonal boron nitride suspended across the gap of the support structure. The present invention also provides a method of fabricating single layer hexagonal boron nitride. In an exemplary embodiment, the method includes (1) providing multilayer boron nitride suspended across a gap of a support structure and (2) performing a reactive ion etch upon the multilayer boron nitride to produce the single layer hexagonal boron nitride suspended across the gap of the support structure.

Volume shift and charge instability of simple-metal clusters

NASA Astrophysics Data System (ADS)

Brajczewska, M.; Vieira, A.; Fiolhais, C.; Perdew, J. P.

1996-12-01

Experiment indicates that small clusters show changes (mostly contractions) of the bond lengths with respect to bulk values. We use the stabilized jellium model to study the self-expansion and self-compression of spherical clusters (neutral or ionized) of simple metals. Results from Kohn - Sham density functional theory are presented for small clusters of Al and Na, including negatively-charged ones. We also examine the stability of clusters with respect to charging.

Thermodynamics of Boron Removal from Silicon Using CaO-MgO-Al2O3-SiO2 Slags

NASA Astrophysics Data System (ADS)

Jakobsson, Lars Klemet; Tangstad, Merete

2018-04-01

Slag refining is one of few metallurgical methods for removal of boron from silicon. It is important to know the thermodynamic properties of boron in slags to understand the refining process. The relation of the distribution coefficient of boron to the activity of silica, partial pressure of oxygen, and capacity of slags for boron oxide was investigated. The link between these parameters explains why the distribution coefficient of boron does not change much with changing slag composition. In addition, the thermodynamic properties of dilute boron oxide in CaO-MgO-Al2O3-SiO2 slags was determined. The ratio of the activity coefficient of boron oxide and silica was found to be the most important parameter for understanding changes in the distribution coefficient of boron for different slags. Finally, the relation between the activity coefficient of boron oxide and slag structure was investigated. It was found that the structure can explain how the distribution coefficient of boron changes depending on slag composition.

Boron removal from aqueous solution by direct contact membrane distillation.

PubMed

Hou, Deyin; Wang, Jun; Sun, Xiangcheng; Luan, Zhaokun; Zhao, Changwei; Ren, Xiaojing

2010-05-15

The removal of boron from aqueous solution by direct contact membrane distillation (DCMD) was studied with self-prepared polyvinylidene fluoride (PVDF) hollow fiber membranes in the present work. The effect of pH, boron concentration, temperature and salt concentration of the feed solution on the boron rejection was investigated. The experimental results indicated that boron rejection was less dependent on the feed pH and salt concentration. DCMD process had high boron removal efficiency (>99.8%) and the permeate boron was below the maximum permissible level even at feed concentration as high as 750 mg/L. Although the permeate flux was enhanced exponentially with the feed temperature increasing, the influence of feed temperature on the boron rejection could be neglected. Finally, the natural groundwater sample containing 12.7 mg/L of boron was treated by DCMD process. The permeate boron kept below 20 microg/L whether the feed was acidified or not, but pre-acidification was helpful to maintain the permeate flux stability. All the experimental results indicated that DCMD could be efficiently used for boron removal from aqueous solution. Copyright (c) 2009 Elsevier B.V. All rights reserved.

Effects on environment and agriculture of geothermal wastewater and boron pollution in great Menderes basin.

PubMed

Koç, Cengiz

2007-02-01

Boron toxicity is an important disorder that can be limit plant growth on soils of arid and semi arid environments through the world. High concentrations of Boron may occur naturally in the soil or in groundwater, or be added to the soil from mining, fertilizers, or irrigation water. Off all the potential resources, irrigation water is the most important contributor to high levels of soil boron, boron is often found in high concentrations in association with saline soil and saline well water. Although of considerable agronomic importance, our understanding of Boron toxicity is rather fragment and limited. In this study, Boron content of Great Menderes River and Basin was researched. Great Menderes Basin is one of the consequence basins having agricultural potential, aspect of water and soil resources in Turkey. Great Menderes River, water resource of the basin was to be polluted by geothermal wastewater and thermal springs including Boron element. Great Menderes Basin has abundant geothermal water resources which contain high amounts of Boron and these ground water are brought to surface and used for various purposes such as power generation, heating or thermal spring and than discharged to Great Menderes River. In order to prevent Boron pollution and hence unproductively in soils, it is necessary not to discharged water with Boron to irrigation water. According to results, it was obtained that Boron content of River was as high in particular Upper Basin where there was a ground thermal water reservoir. Boron has been accumulated more than plant requirement in this area irrigated by this water. Boron content of River was relatively low in rainy months and irrigation season while it was high in dry season. Boron concentration in the River was to decrease from upstream to downstream. If it is no taken measure presently, about 130,000 ha irrigation areas which was constructed irrigation scheme in the Great Menderes basin will expose the Boron pollution and salinity. Even though Boron concentration of river water is under 0.5 ppm limit value, Boron element will store in basin soils, decrease in crop yields, and occur problematic soils in basin.

Changes in boron fiber strength due to surface removal by chemical etching

NASA Technical Reports Server (NTRS)

Smith, R. J.

1976-01-01

The effects of chemical etching on the tensile strength of commercial boron/tungsten fibers were investigated. Fibers with as-received diameters of 203, 143, and 100 micrometers were etched to diameters as small as 43 micrometers. The etching generally resulted in increasing fiber tensile strength with decreasing fiber diameter. And for the 203 micrometer fibers there was an accompanying significant decrease in the coefficient of variation of the tensile strength for diameters down to 89 micrometers. Heat treating these fibers above 1,173 K in a vacuum caused a marked decrease in the average tensile strength of at least 80 percent. But after the fibers were etched, their strengths exceeded the as-received strengths. The tensile strength behavior is explained in terms of etching effects on surface flaws and the residual stress pattern of the as-received fibers.

Monolayer Boron Nitride Substrate Interactions with Graphene Under In-Plane and Perpendicular Strains: A First-Principles Study

NASA Astrophysics Data System (ADS)

Behzad, Somayeh

2018-04-01

Effects of strain on the electronic and optical properties of graphene on monolayer boron nitride (BN) substrate are investigated using first-principle calculations based on density functional theory. Strain-free graphene/BN has a small band gap of 97 meV at the K point. The magnitude of band gap increases with in-plane biaxial strain while it decreases with the perpendicular uniaxial strain. The ɛ2 (ω ) spectrum of graphene/BN bilayer for parallel polarization shows red and blue shifts by applying the in-plane tensile and compressive strains, respectively. Also the positions of peaks in the ɛ2 (ω ) spectrum are not significantly changed under perpendicular strain. The calculated results indicate that graphene on the BN substrate has great potential in microelectronic and optoelectronic applications.

Burning characteristics and fiber retention of graphite/resin matrix composites

NASA Technical Reports Server (NTRS)

Bowles, K. J.

1980-01-01

Graphite fiber reinforced resin matrix composites were subjected to controlled burning conditions to determine their burning characteristics and fiber retention properties. Two types of burning equipment were used. Small samples were burned with a natural gas fired torch to study the effects of fiber orientation and structural flaws such as holes and slits that were machined into the laminates. Larger laminate samples were burned in a Heat Release Rate Calorimeter. Unidirectional epoxy/graphite and polyimide/graphite composites and boron powder filled samples of each of the two composite systems were burn tested and exposed to a thermal radiation. The effects of fiber orientation, flaws, and boron filler additives to the resins were evaluated. A high char forming polyimide resin was no more effective in retaining graphite fibers than a low char forming epoxy resin when burning in air.

Macroscopic self-reorientation of interacting two-dimensional crystals

PubMed Central

Woods, C. R.; Withers, F.; Zhu, M. J.; Cao, Y.; Yu, G.; Kozikov, A.; Ben Shalom, M.; Morozov, S. V.; van Wijk, M. M.; Fasolino, A.; Katsnelson, M. I.; Watanabe, K.; Taniguchi, T.; Geim, A. K.; Mishchenko, A.; Novoselov, K. S.

2016-01-01

Microelectromechanical systems, which can be moved or rotated with nanometre precision, already find applications in such fields as radio-frequency electronics, micro-attenuators, sensors and many others. Especially interesting are those which allow fine control over the motion on the atomic scale because of self-alignment mechanisms and forces acting on the atomic level. Such machines can produce well-controlled movements as a reaction to small changes of the external parameters. Here we demonstrate that, for the system of graphene on hexagonal boron nitride, the interplay between the van der Waals and elastic energies results in graphene mechanically self-rotating towards the hexagonal boron nitride crystallographic directions. Such rotation is macroscopic (for graphene flakes of tens of micrometres the tangential movement can be on hundreds of nanometres) and can be used for reproducible manufacturing of aligned van der Waals heterostructures. PMID:26960435

Observation and characterization of the smallest borospherene, B{sub 28}{sup −} and B{sub 28}

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

Wang, Ying-Jin; Chen, Qiang; You, Xue-Rui

2016-02-14

Free-standing boron nanocages or borospherenes have been observed recently for B{sub 40}{sup −} and B{sub 40}. There is evidence that a family of borospherenes may exist. However, the smallest borospherene is still not known. Here, we report experimental and computational evidence of a seashell-like borospherene cage for B{sub 28}{sup −} and B{sub 28}. Photoelectron spectrum of B{sub 28}{sup −} indicated contributions from different isomers. Theoretical calculations showed that the seashell-like B{sub 28}{sup −} borospherene is competing for the global minimum with a planar isomer and it is shown to be present in the cluster beam, contributing to the observed photoelectronmore » spectrum. The seashell structure is found to be the global minimum for neutral B{sub 28} and the B{sub 28}{sup −} cage represents the smallest borospherene observed to date. It is composed of two triangular close-packed B{sub 15} sheets, interconnected via the three corners by sharing two boron atoms. The B{sub 28} borospherene was found to obey the 2(n + 1){sup 2} electron-counting rule for spherical aromaticity.« less

Boron exposure through drinking water during pregnancy and birth size.

PubMed

Igra, Annachiara Malin; Harari, Florencia; Lu, Ying; Casimiro, Esperanza; Vahter, Marie

2016-10-01

Boron is a metalloid found at highly varying concentrations in soil and water. Experimental data indicate that boron is a developmental toxicant, but the few human toxicity data available concern mostly male reproduction. To evaluate potential effects of boron exposure through drinking water on pregnancy outcomes. In a mother-child cohort in northern Argentina (n=194), 1-3 samples of serum, whole blood and urine were collected per woman during pregnancy and analyzed for boron and other elements to which exposure occurred, using inductively coupled plasma mass spectrometry. Infant weight, length and head circumference were measured at birth. Drinking water boron ranged 377-10,929μg/L. The serum boron concentrations during pregnancy ranged 0.73-605μg/L (median 133μg/L) and correlated strongly with whole-blood and urinary boron, and, to a lesser extent, with water boron. In multivariable-adjusted linear spline regression analysis (non-linear association), we found that serum boron concentrations above 80μg/L were inversely associated with birth length (B-0.69cm, 95% CI -1.4; -0.024, p=0.043, per 100μg/L increase in serum boron). The impact of boron appeared stronger when we restricted the exposure to the third trimester, when the serum boron concentrations were the highest (0.73-447μg/L). An increase in serum boron of 100μg/L in the third trimester corresponded to 0.9cm shorter and 120g lighter newborns (p=0.001 and 0.021, respectively). Considering that elevated boron concentrations in drinking water are common in many areas of the world, although more screening is warranted, our novel findings warrant additional research on early-life exposure in other populations. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

Mathematical modeling and experimental validation of the spatial distribution of boron in the root of Arabidopsis thaliana identify high boron accumulation in the tip and predict a distinct root tip uptake function.

PubMed

Shimotohno, Akie; Sotta, Naoyuki; Sato, Takafumi; De Ruvo, Micol; Marée, Athanasius F M; Grieneisen, Verônica A; Fujiwara, Toru

2015-04-01

Boron, an essential micronutrient, is transported in roots of Arabidopsis thaliana mainly by two different types of transporters, BORs and NIPs (nodulin26-like intrinsic proteins). Both are plasma membrane localized, but have distinct transport properties and patterns of cell type-specific accumulation with different polar localizations, which are likely to affect boron distribution. Here, we used mathematical modeling and an experimental determination to address boron distributions in the root. A computational model of the root is created at the cellular level, describing the boron transporters as observed experimentally. Boron is allowed to diffuse into roots, in cells and cell walls, and to be transported over plasma membranes, reflecting the properties of the different transporters. The model predicts that a region around the quiescent center has a higher concentration of soluble boron than other portions. To evaluate this prediction experimentally, we determined the boron distribution in roots using laser ablation-inductivity coupled plasma-mass spectrometry. The analysis indicated that the boron concentration is highest near the tip and is lower in the more proximal region of the meristem zone, similar to the pattern of soluble boron distribution predicted by the model. Our model also predicts that upward boron flux does not continuously increase from the root tip toward the mature region, indicating that boron taken up in the root tip is not efficiently transported to shoots. This suggests that root tip-absorbed boron is probably used for local root growth, and that instead it is the more mature root regions which have a greater role in transporting boron toward the shoots. © The Author 2015. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists.

Mathematical Modeling and Experimental Validation of the Spatial Distribution of Boron in the Root of Arabidopsis thaliana Identify High Boron Accumulation in the Tip and Predict a Distinct Root Tip Uptake Function

PubMed Central

Shimotohno, Akie; Sotta, Naoyuki; Sato, Takafumi; De Ruvo, Micol; Marée, Athanasius F.M.; Grieneisen, Verônica A.; Fujiwara, Toru

2015-01-01

Boron, an essential micronutrient, is transported in roots of Arabidopsis thaliana mainly by two different types of transporters, BORs and NIPs (nodulin26-like intrinsic proteins). Both are plasma membrane localized, but have distinct transport properties and patterns of cell type-specific accumulation with different polar localizations, which are likely to affect boron distribution. Here, we used mathematical modeling and an experimental determination to address boron distributions in the root. A computational model of the root is created at the cellular level, describing the boron transporters as observed experimentally. Boron is allowed to diffuse into roots, in cells and cell walls, and to be transported over plasma membranes, reflecting the properties of the different transporters. The model predicts that a region around the quiescent center has a higher concentration of soluble boron than other portions. To evaluate this prediction experimentally, we determined the boron distribution in roots using laser ablation-inductivity coupled plasma-mass spectrometry. The analysis indicated that the boron concentration is highest near the tip and is lower in the more proximal region of the meristem zone, similar to the pattern of soluble boron distribution predicted by the model. Our model also predicts that upward boron flux does not continuously increase from the root tip toward the mature region, indicating that boron taken up in the root tip is not efficiently transported to shoots. This suggests that root tip-absorbed boron is probably used for local root growth, and that instead it is the more mature root regions which have a greater role in transporting boron toward the shoots. PMID:25670713

Fabrication of boron sputter targets

DOEpatents

Makowiecki, Daniel M.; McKernan, Mark A.

1995-01-01

A process for fabricating high density boron sputtering targets with sufficient mechanical strength to function reliably at typical magnetron sputtering power densities and at normal process parameters. The process involves the fabrication of a high density boron monolithe by hot isostatically compacting high purity (99.9%) boron powder, machining the boron monolithe into the final dimensions, and brazing the finished boron piece to a matching boron carbide (B.sub.4 C) piece, by placing aluminum foil there between and applying pressure and heat in a vacuum. An alternative is the application of aluminum metallization to the back of the boron monolithe by vacuum deposition. Also, a titanium based vacuum braze alloy can be used in place of the aluminum foil.

Structure prediction of boron-doped graphene by machine learning

NASA Astrophysics Data System (ADS)

M. Dieb, Thaer; Hou, Zhufeng; Tsuda, Koji

2018-06-01

Heteroatom doping has endowed graphene with manifold aspects of material properties and boosted its applications. The atomic structure determination of doped graphene is vital to understand its material properties. Motivated by the recently synthesized boron-doped graphene with relatively high concentration, here we employ machine learning methods to search the most stable structures of doped boron atoms in graphene, in conjunction with the atomistic simulations. From the determined stable structures, we find that in the free-standing pristine graphene, the doped boron atoms energetically prefer to substitute for the carbon atoms at different sublattice sites and that the para configuration of boron-boron pair is dominant in the cases of high boron concentrations. The boron doping can increase the work function of graphene by 0.7 eV for a boron content higher than 3.1%.

Biological activity of N(4)-boronated derivatives of 2'-deoxycytidine, potential agents for boron-neutron capture therapy.

PubMed

Nizioł, Joanna; Uram, Łukasz; Szuster, Magdalena; Sekuła, Justyna; Ruman, Tomasz

2015-10-01

Boron-neutron capture therapy (BNCT) is a binary anticancer therapy that requires boron compound for nuclear reaction during which high energy alpha particles and lithium nuclei are formed. Unnatural, boron-containing nucleoside with hydrophobic pinacol moiety was investigated as a potential BNCT boron delivery agent. Biological properties of this compound are presented for the first time and prove that boron nucleoside has low cytotoxicity and that observed apoptotic effects suggest alteration of important functions of cancer cells. Mass spectrometry analysis of DNA from cancer cells proved that boron nucleoside is inserted into nucleic acids as a functional nucleotide derivative. NMR studies present very high degree of similarity of natural dG-dC base pair with dG-boron nucleoside system. Copyright © 2015 Elsevier Ltd. All rights reserved.

Basic features of boron isotope separation by SILARC method in the two-step iterative static model

NASA Astrophysics Data System (ADS)

Lyakhov, K. A.; Lee, H. J.

2013-05-01

In this paper we develop a new static model for boron isotope separation by the laser assisted retardation of condensation method (SILARC) on the basis of model proposed by Jeff Eerkens. Our model is thought to be adequate to so-called two-step iterative scheme for isotope separation. This rather simple model helps to understand combined action on boron separation by SILARC method of all important parameters and relations between them. These parameters include carrier gas, molar fraction of BCl3 molecules in carrier gas, laser pulse intensity, gas pulse duration, gas pressure and temperature in reservoir and irradiation cells, optimal irradiation cell and skimmer chamber volumes, and optimal nozzle throughput. A method for finding optimal values of these parameters based on some objective function global minimum search was suggested. It turns out that minimum of this objective function is directly related to the minimum of total energy consumed, and total setup volume. Relations between nozzle throat area, IC volume, laser intensity, number of nozzles, number of vacuum pumps, and required isotope production rate were derived. Two types of industrial scale irradiation cells are compared. The first one has one large throughput slit nozzle, while the second one has numerous small nozzles arranged in parallel arrays for better overlap with laser beam. It is shown that the last one outperforms the former one significantly. It is argued that NO2 is the best carrier gas for boron isotope separation from the point of view of energy efficiency and Ar from the point of view of setup compactness.

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

Lagunova, I.A.

A characteristic feature of the products of mud-volcano activity in the Kerch-Taman region is their high boron content. Distribution of boron in waters of mud volcanoes is characterized by restriction of anomalously high concentrations of boron to mud volcanoes actively operating at the present time in general, and to the most active period of operation of the individual volcano; there is a direct correlation between boron and the hydrocarbonate ion (r/sub B//HCO/sub 3// = 0.5), and between boron and carbon dioxide from the mud-volcano gases (r/sub B//CO/sub 2// = 0.4). The correlation is lacking between boron and mineralization, and betweenmore » boron and chlorine, the correlation is close to inverse. A spatial connection between areas of development of mud volcanism and belts of boron mineralization has been established. Anomalously high boron concentrations in the products of mud volcanism in the Kerch-Taman region are part of the overall increased boron capacity of the Crimea and the Caucasus, which has been controlled by recent magmatic activity.« less

METHOD OF COATING SURFACES WITH BORON

DOEpatents

Martin, G.R.

1949-10-11

A method of forming a thin coating of boron on metallic, glass, or other surfaces is described. The method comprises heating the article to be coated to a temperature of about 550 d C in an evacuated chamber and passing trimethyl boron, triethyl boron, or tripropyl boron in the vapor phase and under reduced pressure into contact with the heated surface causing boron to be deposited in a thin film.

Boron Dissolved and Particulate Atmospheric Inputs to a Forest Ecosystem (Northeastern France).

PubMed

Roux, Philippe; Turpault, Marie-Pierre; Kirchen, Gil; Redon, Paul-Olivier; Lemarchand, Damien

2017-12-19

Boron concentrations and isotopic compositions of atmospheric dust and dissolved depositions were monitored over a two-year period (2012-2013) in the forest ecosystem of Montiers (Northeastern France). This time series allows the determination of the boron atmospheric inputs to this forest ecosystem and contributes to refine our understanding of the sources and processes that control the boron atmospheric cycle. Mean annual dust and dissolved boron atmospheric depositions are comparable in size (13 g·ha -1 ·yr -1 and 16 g·ha -1 ·yr -1 , respectively), which however show significant intra- and interannual variations. Boron isotopes in dust differ from dissolved inputs, with an annual mean value of +1 ‰ and +18 ‰ for, respectively. The notable high boron contents (190-390 μg·g -1 ) of the dust samples are interpreted as resulting from localized spreading of boron-rich fertilizers, thus indicating a significant local impact of regional agricultural activities. Boron isotopes in dissolved depositions show a clear seasonal trend. The absence of correlation with marine cyclic solutes contradicts a control of atmospheric boron by dissolution of seasalts. Instead, the boron data from this study are consistent with a Rayleigh-like evolution of the atmospheric gaseous boron reservoir with possible but limited anthropogenic and/or biogenic contributions.

Insights into the Mechanisms Underlying Boron Homeostasis in Plants

PubMed Central

Yoshinari, Akira; Takano, Junpei

2017-01-01

Boron is an essential element for plants but is toxic in excess. Therefore, plants must adapt to both limiting and excess boron conditions for normal growth. Boron transport in plants is primarily based on three transport mechanisms across the plasma membrane: passive diffusion of boric acid, facilitated diffusion of boric acid via channels, and export of borate anion via transporters. Under boron -limiting conditions, boric acid channels and borate exporters function in the uptake and translocation of boron to support growth of various plant species. In Arabidopsis thaliana, NIP5;1 and BOR1 are located in the plasma membrane and polarized toward soil and stele, respectively, in various root cells, for efficient transport of boron from the soil to the stele. Importantly, sufficient levels of boron induce downregulation of NIP5;1 and BOR1 through mRNA degradation and proteolysis through endocytosis, respectively. In addition, borate exporters, such as Arabidopsis BOR4 and barley Bot1, function in boron exclusion from tissues and cells under conditions of excess boron. Thus, plants actively regulate intracellular localization and abundance of transport proteins to maintain boron homeostasis. In this review, the physiological roles and regulatory mechanisms of intracellular localization and abundance of boron transport proteins are discussed. PMID:29204148

Boron sorption from aqueous solution by hydrotalcite and its preliminary application in geothermal water deboronation.

PubMed

Guo, Qinghai; Zhang, Yin; Cao, Yaowu; Wang, Yanxin; Yan, Weide

2013-11-01

Hydrotalcite and its calcination product were used to treat pure water spiked with various concentrations of boron and geothermal water containing boron as a major undesirable element. The kinetics process of boron sorption by uncalcined hydrotalcite is controlled by the diffusion of boron from bulk solution to sorbent-solution boundary film and its exchange with interlayer chloride of hydrotalcite, whereas the removal rate of boron by calcined hydrotalcite rests with the restoration process of its layered structure. The results of isotherm sorption experiments reveal that calcined hydrotalcite generally has much stronger ability to lower solution boron concentration than uncalcined hydrotalcite. The combination of adsorption of boron on the residue of MgO-Al2O3 solid solution and intercalation of boron into the reconstructed hydrotalcite structure due to "structural memory effect" is the basic mechanism based on which the greater boron removal by calcined hydrotalcite was achieved. As 15 geothermal water samples were used to test the deboronation ability of calcined hydrotalcite at 65 °C, much lower boron removal efficiencies were observed. The competitive sorption of the other anions in geothermal water, such as HCO3-, SO4(2-), and F-, is the reason why calcined hydrotalcite could not remove boron from geothermal water as effectively as from pure boron solution. However, boron removal percents ranging from 89.3 to 99.0% could be obtained if 50 times of sorbent were added to the geothermal water samples. Calcined hydrotalcite is a good candidate for deboronation of geothermal water.

Modeling and Modification of the Electromagnetic Properties of Advanced Composite Materials.

DTIC Science & Technology

1980-01-01

Direction 𔃾 into x tpaper L2JI F L TRANSVERSE CONDuCTIVmf !( oDK FIGUR 1-2 ’I I _ _ _ _ _ _ _ _ _ _ _ _ _ _ T-1 14 Pe’u are the electron, hole mobilities and...Otte and Lipsitt [4]. One of the conclusions of (5] is to characterize CYD boron as a collection of small crystallites of the 3-rhombohedral form

LOW-LOSS CABLE AND METHOD OF FABRICATION

DOEpatents

McCarthy, R.L. et al.

1960-09-27

A radiation-resistant coaxial electrical cable capable of carrying very small currents at high voltages with little leakage is described. The cable comprises an inner axial conductor separated from an outer coaxial tubular conductor by annular layer of fibrous silica insulation. The silica insulation is formed by leaching boron from spun horosilicate glass and then heat treating the silica at a high temperature.

Effect of charcoal doping on the superconducting properties of MgB 2 bulk

NASA Astrophysics Data System (ADS)

Kim, N. K.; Tan, K. S.; Jun, B.-H.; Park, H. W.; Joo, J.; Kim, C.-J.

2008-09-01

The effect of charcoal doping on the superconducting properties of in situ processed MgB 2 bulk samples was investigated. To understand the size effect of the dopant the charcoal powder was attrition milled for 1 h, 3 h and 6 h using ZrO 2 balls. The milled charcoal powders were mixed with magnesium and boron powders to a nominal composition of Mg(B 0.975C 0.025) 2. The Mg(B 0.975C 0.025) 2 compacts were heat-treated at 900 °C for 0.5 h in flowing Ar atmosphere. Magnetic susceptibility for the samples showed that the superconducting transition temperature ( Tc) decreased as the size of the charcoal powder decreased. The critical current density ( Jc) of Mg(B 0.975C 0.025) 2 prepared using large size charcoal powder was lower than that of the undoped MgB 2. However, a crossover of Jc value was observed at high magnetic fields of about 4 T in Mg(B 0.975C 0.025) 2 prepared using small size charcoal powder. Carbon diffusion into the boron site was easier and gave the Jc increase effect when the small size charcoal was used as a dopant.

The quest for inorganic fullerenes

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

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.

2015-10-02

Experimental results of the search for inorganic fullerenes are presented. Mo nS m - and W nS m - clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. Moreover, the species in the first maximum at low mass are known to be platelets. The structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy,more » and scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Likewise, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.« less

The quest for inorganic fullerenes

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

Pietsch, Susanne; Dollinger, Andreas; Strobel, Christoph H.

2015-10-07

Experimental results of the search for inorganic fullerenes are presented. Mo{sub n}S{sub m}{sup −} and W{sub n}S{sub m}{sup −} clusters are generated with a pulsed arc cluster ion source equipped with an annealing stage. This is known to enhance fullerene formation in the case of carbon. Analogous to carbon, the mass spectra of the metal chalcogenide clusters produced in this way exhibit a bimodal structure. The species in the first maximum at low mass are known to be platelets. Here, the structure of the species in the second maximum is studied by anion photoelectron spectroscopy, scanning transmission electron microscopy, andmore » scanning tunneling microcopy. All experimental results indicate a two-dimensional structure of these species and disagree with a three-dimensional fullerene-like geometry. A possible explanation for this preference of two-dimensional structures is the ability of a two-element material to saturate the dangling bonds at the edges of a platelet by excess atoms of one element. A platelet consisting of a single element only cannot do this. Accordingly, graphite and boron might be the only materials forming nano-spheres because they are the only single element materials assuming two-dimensional structures.« less

Development of magnetic resonance technology for noninvasive boron quantification

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

Bradshaw, K.M.

1990-11-01

Boron magnetic resonance imaging (MRI) and spectroscopy (MRS) were developed in support of the noninvasive boron quantification task of the Idaho National Engineering Laboratory (INEL) Power Burst Facility/Boron Neutron Capture Therapy (PBF/BNCT) program. The hardware and software described in this report are modifications specific to a GE Signa{trademark} MRI system, release 3.X and are necessary for boron magnetic resonance operation. The technology developed in this task has been applied to obtaining animal pharmacokinetic data of boron compounds (drug time response) and the in-vivo localization of boron in animal tissue noninvasively. 9 refs., 21 figs.

Special features of the technology of boronizing steel in a calcium chloride melt

NASA Astrophysics Data System (ADS)

Chernov, Ya. B.; Anfinogenov, A. I.; Veselov, I. N.

1999-12-01

A technology for hardening machine parts and tools by boronizing in molten calcium chloride with amorphous-boron powder in electrode salt baths has been developed with the aim of creating a closed cycle of utilizing the raw materials and the washing water. A process of boronizing that includes quenching and tempering of the boronized articles is described. The quenching medium is an ecologically safe and readily available aqueous solution of calcium chloride. The process envisages return of the melt components to the boronizing bath. Boronizing by the suggested method was tested for different classes of steel, namely, structural and tool steels for cold and hot deformation. The wear resistance of the boronized steels was studied.

Fabrication of boron sputter targets

DOEpatents

Makowiecki, D.M.; McKernan, M.A.

1995-02-28

A process is disclosed for fabricating high density boron sputtering targets with sufficient mechanical strength to function reliably at typical magnetron sputtering power densities and at normal process parameters. The process involves the fabrication of a high density boron monolithe by hot isostatically compacting high purity (99.9%) boron powder, machining the boron monolithe into the final dimensions, and brazing the finished boron piece to a matching boron carbide (B{sub 4}C) piece, by placing aluminum foil there between and applying pressure and heat in a vacuum. An alternative is the application of aluminum metallization to the back of the boron monolithe by vacuum deposition. Also, a titanium based vacuum braze alloy can be used in place of the aluminum foil. 7 figs.

Process of Making Boron-Fiber Reinforced Composite Tape

NASA Technical Reports Server (NTRS)

Belvin, Harry L. (Inventor); Cano, Roberto J. (Inventor); Johnston, Norman J. (Inventor); Marchello, Joseph M. (Inventor)

2002-01-01

The invention is an apparatus and method for producing a hybrid boron reinforced polymer matrix composition from powder pre-impregnated fiber tow bundles and a linear array of boron fibers. The boron fibers are applied onto the powder pre-impregnated fiber tow bundles and then are processed within a processing component having an impregnation bar assembly. After passing through variable-dimension forming nip-rollers, the powder pre-impregnated fiber tow bundles with the boron fibers become a hybrid boron reinforced polymer matrix composite tape. A driving mechanism pulls the powder pre-impregnated fiber tow bundles with boron fibers through the processing line of the apparatus and a take-up spool collects the formed hybrid boron-fiber reinforced polymer matrix composite tape.

Experimental Study on Application of Boron Mud Secondary Resource to Oxidized Pellets Production

NASA Astrophysics Data System (ADS)

Fu, Xiao-Jiao; Chu, Man-Sheng; Zhao, Jia-Qi; Chen, Shuang-Yin; Liu, Zheng-Gen; Wang, Si-Yuan

2017-07-01

In order to realize comprehensive and massive treatment of boron mud secondary resource, fundamental study on boron mud applied to oxidized pellets production as additive was carried out in the paper under laboratory conditions. The effects of boron mud on the performance of oxidized pellets were investigated systemically, and boron mud was combined with other boron-rich material innovatively. The results showed that, within certain limits, boron mud can improve properties of oxidized pellets. The bentonite content decreased to 0.3 % when adding 1.0 % boron mud additive and the pellets met blast furnace requirements. With the combination additive content 0.8 %, bentonite content can be further decreased to 0.2 %, and the pellets properties were better than base pellet. Therefore, it was an effective way to reduce environmental pollution and optimize blast furnace operation by developing boron mud secondary resource as pellets additive.

Boron removal in radioactive liquid waste by forward osmosis membrane

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

Doo Seong Hwang; Hei Min Choi; Kune Woo Lee

2013-07-01

This study investigated the treatment of boric acid contained in liquid radioactive waste using a forward osmosis membrane. The boron permeation through the membrane depends on the type of membrane, membrane orientation, pH of the feed solution, salt and boron concentration in the feed solution, and osmotic pressure of the draw solution. The boron flux begins to decline from pH 7 and increases with an increase of the osmotic driving force. The boron flux decreases slightly with the salt concentration, but is not heavily influenced by a low salt concentration. The boron flux increases linearly with the concentration of boron.more » No element except for boron was permeated through the FO membrane in the multi-component system. The maximum boron flux is obtained in an active layer facing a draw solution orientation of the CTA-ES membrane under conditions of less than pH 7 and high osmotic pressure. (authors)« less

Diamond Nucleation of Surfaces Using Carbon Clusters

DTIC Science & Technology

1993-05-01

8217 den lotafC 0, OAF e ol (*(.Pt 01If CZ.,,C :A 4 C.d,^; flt.0"$ j .n to, thl 0..eftC TO 440?.NqtOn -44sca.’lie’l eon Ofttlo tt 0( tl O Af~tO o0V614...is used to keep the sample in place. The cap is made of either graphite, quartz, or boron nitride depending on the particular experiment. In this...John, P., Alvarez, M.M., Diederich, F., and Whetten, R.L., J. Phys. Chem. in press (1991). 40 44. Zhang, Q.L., 0’ Brien , S.C., Heath, J.R., Liu, Y

Ferromagnetism and semiconducting of boron nanowires

PubMed Central

2012-01-01

More recently, motivated by extensively technical applications of carbon nanostructures, there is a growing interest in exploring novel non-carbon nanostructures. As the nearest neighbor of carbon in the periodic table, boron has exceptional properties of low volatility and high melting point and is stronger than steel, harder than corundum, and lighter than aluminum. Boron nanostructures thus are expected to have broad applications in various circumstances. In this contribution, we have performed a systematical study of the stability and electronic and magnetic properties of boron nanowires using the spin-polarized density functional calculations. Our calculations have revealed that there are six stable configurations of boron nanowires obtained by growing along different base vectors from the unit cell of the bulk α-rhombohedral boron (α-B) and β-rhombohedral boron (β-B). Well known, the boron bulk is usually metallic without magnetism. However, theoretical results about the magnetic and electronic properties showed that, whether for the α-B-based or the β-B-based nanowires, their magnetism is dependent on the growing direction. When the boron nanowires grow along the base vector [001], they exhibit ferromagnetism and have the magnetic moments of 1.98 and 2.62 μB, respectively, for the α-c [001] and β-c [001] directions. Electronically, when the boron nanowire grows along the α-c [001] direction, it shows semiconducting and has the direct bandgap of 0.19 eV. These results showed that boron nanowires possess the unique direction dependence of the magnetic and semiconducting behaviors, which are distinctly different from that of the bulk boron. Therefore, these theoretical findings would bring boron nanowires to have many promising applications that are novel for the boron bulk. PMID:23244063

Boron and silicon: Effects on growth, plasma lipids, urinary cyclic AMP and bone and brain mineral composition of male rats

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

Seaborn, C.D.; Nielsen, F.H.

1994-06-01

Because boron resembles silicon in its chemical properties, an experiment was performed to determine if excessive dietary boron would affect the response to silicon deprivation and, conversely, if silicon would influence the effects of an excessive intake of boron. Male weanling Sprague-Dawley rats were assigned to groups of 6 or 12 in a two-by-two factorially arranged experiment. Supplemented to a ground corn/casein diet containing 1.2 [mu]g silicon and 3 [mu]g boron per gram were silicon as sodium metasilicate at 0 or 50 [mu]g/g and boron as orthoboric acid at 0 or 500 [mu]g/g diet. At nine weeks, animals fed highmore » dietary boron had significantly decreased final body weights, liver-weight-to-body-weight ratios, urinary cAMP concentrations, plasma triglyceride, cholesterol, glycine, valine, leucine, and lysine concentrations and skull copper, sodium, and manganese concentrations. High dietary boron also significantly increased brain-weight-to-body-weight ratios, magnesium concentrations of femur, brain, and plasma, zinc concentration of femur, and iron concentration of skull. The bone mineral findings suggest that excess dietary boron exerts subtle effects on bone composition. Dietary silicon affected blood urea nitrogen, hematocrit, hemoglobin, and the concentrations of plasma threonine and aspartic acid in animals fed excess boron. Depression of the testes-weight-to-body-weight ratio of animals fed 500 [mu]g boron per gram diet was most marked in animals not fed silicon. Although excessive dietary boron did not markedly enhanced the response of rats to silicon deprivation, dietary silicon affected their response to high dietary boron. Thus, dietary silicon apparently can influence boron toxicity.« less

Boron Nitride Nanotubes

NASA Technical Reports Server (NTRS)

Jordan, Kevin (Inventor); Smith, Michael W. (Inventor); Park, Cheol (Inventor)

2012-01-01

Boron nitride nanotubes are prepared by a process which includes: (a) creating a source of boron vapor; (b) mixing the boron vapor with nitrogen gas so that a mixture of boron vapor and nitrogen gas is present at a nucleation site, which is a surface, the nitrogen gas being provided at a pressure elevated above atmospheric, e.g., from greater than about 2 atmospheres up to about 250 atmospheres; and (c) harvesting boron nitride nanotubes, which are formed at the nucleation site.

Boron nitride nanotubes

DOEpatents

Smith, Michael W [Newport News, VA; Jordan, Kevin [Newport News, VA; Park, Cheol [Yorktown, VA

2012-06-06

Boron nitride nanotubes are prepared by a process which includes: (a) creating a source of boron vapor; (b) mixing the boron vapor with nitrogen gas so that a mixture of boron vapor and nitrogen gas is present at a nucleation site, which is a surface, the nitrogen gas being provided at a pressure elevated above atmospheric, e.g., from greater than about 2 atmospheres up to about 250 atmospheres; and (c) harvesting boron nitride nanotubes, which are formed at the nucleation site.

Plasma boron and the effects of boron supplementation in males.

PubMed Central

Green, N R; Ferrando, A A

1994-01-01

Recently, a proliferation of athletic supplements has been marketed touting boron as an ergogenic aid capable of increasing testosterone. The effect of boron supplementation was investigated in male bodybuilders. Ten male bodybuilders (aged 20 to 26) were given a 2.5-mg boron supplement, while nine male bodybuilders (aged 21 to 27) were given a placebo for 7 weeks. Plasma total and free testosterone, plasma boron, lean body mass, and strength measurements were determined on day 1 and day 49 of the study. A microwave digestion procedure followed by inductively coupled argon plasma spectroscopy was used for boron determination. Twelve subjects had boron values at or above the detection limit with median value of 25 ng/ml (16 ng/ml lower quartile and 33 ng/ml upper quartile). Of the ten subjects receiving boron supplements, six had an increase in their plasma boron. Analysis of variance indicated no significant effect of boron supplementation on any of the other dependent variables. Both groups demonstrated significant increases in total testosterone (p < 0.01), lean body mass (p < 0.01), and one repetition maximum (RM) squat (p < 0.001) and one RM bench press (p < 0.01). The findings suggest that 7 weeks of bodybuilding can increase total testosterone, lean body mass, and strength in lesser-trained bodybuilders, but boron supplementation affects these variables not at all. PMID:7889885

Microwave sintering of boron carbide

DOEpatents

Blake, R.D.; Katz, J.D.; Petrovic, J.J.; Sheinberg, H.

1988-06-10

A method for forming boron carbide into a particular shape and densifying the green boron carbide shape. Boron carbide in powder form is pressed into a green shape and then sintered, using a microwave oven, to obtain a dense boron carbide body. Densities of greater than 95% of theoretical density have been obtained. 1 tab.

Removal of boron (B) from waste liquors.

PubMed

Jiang, J Q; Xu, Y; Simon, J; Quill, K; Shettle, K

2006-01-01

This paper explores the use of electrocoagulation to remove boron from waste effluent in comparison with alum coagulation. In treating model test wastes, greater boron removals were achieved with electrocoagulation at low doses than conventional alum coagulation when reaction was undertaken for the same conditions (pH 8.5, and initial boron concentration was 500 mg/L). Al electrocoagulation can achieve good boron removal performance (68.3%) at a dose of 2.1 (as molar ratio of Al:B, and for current density of 62.1 A/m2), while alum coagulation can only achieve the maximum boron removal of 56% at a dose of 2.4. Also, Al electrocoagulation can remove 15-20% more boron than alum coagulation for the same dose compared in the treatment of both model test wastes and industry effluent. The estimation of running costs shows that to achieve 75% boron removal from industry waste effluent, i.e. removing 150 g of boron from 1 m3 of effluent, electrocoagulation was 6.2 times cheaper than alum coagulation. The economic advantage of electrocoagulation in the treatment of boron-containing waste effluent is thus significant.

Boron Stress Activates the General Amino Acid Control Mechanism and Inhibits Protein Synthesis

PubMed Central

Uluisik, Irem; Kaya, Alaattin; Fomenko, Dmitri E.; Karakaya, Huseyin C.; Carlson, Bradley A.; Gladyshev, Vadim N.; Koc, Ahmet

2011-01-01

Boron is an essential micronutrient for plants, and it is beneficial for animals. However, at high concentrations boron is toxic to cells although the mechanism of this toxicity is not known. Atr1 has recently been identified as a boron efflux pump whose expression is upregulated in response to boron treatment. Here, we found that the expression of ATR1 is associated with expression of genes involved in amino acid biosynthesis. These mechanisms are strictly controlled by the transcription factor Gcn4 in response to boron treatment. Further analyses have shown that boron impaired protein synthesis by promoting phosphorylation of eIF2α in a Gcn2 kinase dependent manner. The uncharged tRNA binding domain (HisRS) of Gcn2 is necessary for the phosphorylation of eIF2α in the presence of boron. We postulate that boron exerts its toxic effect through activation of the general amino acid control system and inhibition of protein synthesis. Since the general amino acid control pathway is conserved among eukaryotes, this mechanism of boron toxicity may be of general importance. PMID:22114689

Sound controlled rotation of a cluster of small particles on an ultrasonically vibrating metal strip

NASA Astrophysics Data System (ADS)

Zhang, Xueyi; Zheng, Yun; Hu, Junhui

2008-01-01

We show that a vibrating metal strip, mechanically driven by an ultrasonic transducer, can rotate a cluster of small particles around a fixed point, and the diameter of the cluster of small particles can reach a stable value (steady diameter) for a given driving condition. The rotation is very stable when the vibration of the metal strip is appropriate. The revolution speed, its direction, and steady diameter of the particle cluster can be controlled by the operating frequency of the ultrasonic transducer. For shrimp eggs, a revolution speed up to 360rpm can be obtained.

Boron-based nanostructures: Synthesis, functionalization, and characterization

NASA Astrophysics Data System (ADS)

Bedasso, Eyrusalam Kifyalew

Boron-based nanostructures have not been explored in detail; however, these structures have the potential to revolutionize many fields including electronics and biomedicine. The research discussed in this dissertation focuses on synthesis, functionalization, and characterization of boron-based zero-dimensional nanostructures (core/shell and nanoparticles) and one-dimensional nanostructures (nanorods). The first project investigates the synthesis and functionalization of boron-based core/shell nanoparticles. Two boron-containing core/shell nanoparticles, namely boron/iron oxide and boron/silica, were synthesized. Initially, boron nanoparticles with a diameter between 10-100 nm were prepared by decomposition of nido-decaborane (B10H14) followed by formation of a core/shell structure. The core/shell structures were prepared using the appropriate precursor, iron source and silica source, for the shell in the presence of boron nanoparticles. The formation of core/shell nanostructures was confirmed using high resolution TEM. Then, the core/shell nanoparticles underwent a surface modification. Boron/iron oxide core/shell nanoparticles were functionalized with oleic acid, citric acid, amine-terminated polyethylene glycol, folic acid, and dopamine, and boron/silica core/shell nanoparticles were modified with 3-(amino propyl) triethoxy silane, 3-(2-aminoethyleamino)propyltrimethoxysilane), citric acid, folic acid, amine-terminated polyethylene glycol, and O-(2-Carboxyethyl)polyethylene glycol. A UV-Vis and ATR-FTIR analysis established the success of surface modification. The cytotoxicity of water-soluble core/shell nanoparticles was studied in triple negative breast cancer cell line MDA-MB-231 and the result showed the compounds are not toxic. The second project highlights optimization of reaction conditions for the synthesis of boron nanorods. This synthesis, done via reduction of boron oxide with molten lithium, was studied to produce boron nanorods without any contamination and with a uniform size distribution. Various reaction parameters such as temperature, reaction time, and sonication were altered to find the optimal reaction conditions. Once these conditions were determined, boron nanorods were produced then functionalized with amine-terminated polyethylene glycol.

Method for preparing boron-carbide articles

DOEpatents

Benton, S.T.; Masters, D.R.

1975-10-21

The invention is directed to the preparation of boron carbide articles of various configurations. A stoichiometric mixture of particulate boron and carbon is confined in a suitable mold, heated to a temperature in the range of about 1250 to 1500$sup 0$C for effecting a solid state diffusion reaction between the boron and carbon for forming the boron carbide (B$sub 4$C), and thereafter the resulting boron-carbide particles are hot-pressed at a temperature in the range of about 1800 to 2200$sup 0$C and a pressure in the range of about 1000 to 4000 psi for densifying and sintering the boron carbide into the desired article.

Boron coating on boron nitride coated nuclear fuels by chemical vapor deposition

NASA Astrophysics Data System (ADS)

Durmazuçar, Hasan H.; Gündüz, Güngör

2000-12-01

Uranium dioxide-only and uranium dioxide-gadolinium oxide (5% and 10%) ceramic nuclear fuel pellets which were already coated with boron nitride were coated with thin boron layer by chemical vapor deposition to increase the burn-up efficiency of the fuel during reactor operation. Coating was accomplished from the reaction of boron trichloride with hydrogen at 1250 K in a tube furnace, and then sintering at 1400 and 1525 K. The deposited boron was identified by infrared spectrum. The morphology of the coating was studied by using scanning electron microscope. The plate, grainy and string (fiber)-like boron structures were observed.

Excellent electrical conductivity of the exfoliated and fluorinated hexagonal boron nitride nanosheets.

PubMed

Xue, Yafang; Liu, Qian; He, Guanjie; Xu, Kaibing; Jiang, Lin; Hu, Xianghua; Hu, Junqing

2013-01-24

The insulator characteristic of hexagonal boron nitride limits its applications in microelectronics. In this paper, the fluorinated hexagonal boron nitride nanosheets were prepared by doping fluorine into the boron nitride nanosheets exfoliated from the bulk boron nitride in isopropanol via a facile chemical solution method with fluoboric acid; interestingly, these boron nitride nanosheets demonstrate a typical semiconductor characteristic which were studied on a new scanning tunneling microscope-transmission electron microscope holder. Since this property changes from an insulator to a semiconductor of the boron nitride, these nanosheets will be able to extend their applications in designing and fabricating electronic nanodevices.

Boron nitride - Composition, optical properties, and mechanical behavior

NASA Technical Reports Server (NTRS)

Pouch, John J.; Alterovitz, Samuel A.; Miyoshi, Kazuhisa; Warner, Joseph D.

1987-01-01

A low energy ion beam deposition technique was used to grow boron nitride films on quartz, germanium, silicon, gallium arsenide, and indium phosphate. The film structure was amorphous with evidence of a hexagonal phase. The peak boron concentration was 82 at. percent. The carbon and oxygen impurities were in the 5 to 8 at. percent range. Boron-nitrogen and boron-boron bonds were revealed by X-ray photoelectron spectroscopy. The index of refraction varied from 1.65 to 1.67 for films deposited on III-V compound semiconductors. The coefficient of friction for boron nitride in sliding contact with diamond was less than 0.1. The substrate was silicon.

Boron nitride: Composition, optical properties and mechanical behavior

NASA Technical Reports Server (NTRS)

Pouch, John J.; Alterovitz, Samuel A.; Miyoshi, Kazuhisa; Warner, Joseph D.

1987-01-01

A low energy ion beam deposition technique was used to grow boron nitride films on quartz, germanium, silicon, gallium arsenide, and indium phosphate. The film structure was amorphous with evidence of a hexagonal phase. The peak boron concentration was 82 at %. The carbon and oxygen impurities were in the 5 to 8 at % range. Boron-nitrogen and boron-boron bonds were revealed by X-ray photoelectron spectroscopy. The index of refraction varied from 1.65 to 1.67 for films deposited on III-V compound semiconductors. The coefficient of friction for boron nitride in sliding contact with diamond was less than 0.1. The substrate was silicon.

Dry Process for Manufacturing Hybridized Boron Fiber/Carbon Fiber Thermoplastic Composite Materials from a Solution Coated Precursor

NASA Technical Reports Server (NTRS)

Belvin, Harry L. (Inventor); Cano, Roberto J. (Inventor)

2003-01-01

An apparatus for producing a hybrid boron reinforced polymer matrix composite from precursor tape and a linear array of boron fibers. The boron fibers are applied onto the precursor tapes and the precursor tape processed within a processing component having an impregnation bar assembly. After passing through variable-dimension forming nip-rollers, the precursor tape with the boron fibers becomes a hybrid boron reinforced polymer matrix composite. A driving mechanism is used to pulled the precursor tape through the method and a take-up spool is used to collect the formed hybrid boron reinforced polymer matrix composite.

Effect of low temperature oxidation (LTO) in reducing boron skin in boron spin on dopant diffused emitter

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

Singha, Bandana; Solanki, Chetan Singh

Formation of boron skin is an unavoidable phenomenon in p-type emitter formation with boron dopant source. The boron skin thickness is generally less than 100 nm and difficult to remove by chemical and physical means. Low temperature oxidation (LTO) used in this work is useful in removing boron skin thickness up to 30 nm and improves the emitter performance. The effective minority carrier lifetime gets improved by more than 30% after using LTO and leakage current of the emitter gets lowered by 100 times thereby showing the importance of low temperature oxidation in boron spin on dopant diffused emitters.

[Citrus boron nutrient level and its impact factors in the Three Gorges Reservoir region of Chongqing, China].

PubMed

Zhou, Wei; Peng, Liang-Zhi; Chun, Chang-Pin; Jiang, Cai-Lun; Ling, Li-Li; Wang, Nan-Qi; Xing, Fei; Huang, Yi

2014-04-01

To investigate the level of boron nutrient in citrus and its impact factors, a total of 954 citrus leaf samples and 302 soil samples were collected from representative orchards in the 12 main citrus production counties in the Three Gorges Reservoir region of Chongqing to determine the boron content in citrus leaves, as well as the relationships between leaf boron content with soil available boron content, soil pH value, cultivar, rootstock and the age of tree. Results indicated that the leaf samples from 41.6% orchards (< 35 mg x kg(-1)) and the soil samples from 89.4% orchards (< 0.5 mg x kg(-1)) were boron insufficient. The correlation of leaf boron content and soil available boron content was not significant. The soil pH, cultivar, rootstock and the age of tree did affect the leaf boron content. The leaves from the orchards with soil pH of 4.5-6.4 demonstrated significantly higher boron contents than with the soil pH of 6.5-8.5. The leaf boron contents in the different cultivars was ranged as Satsuma mandarin > pomelo > valencia orange > sweet orange > tangor > navel orange. The citrus on trifoliate orange and sour pomelo rootstocks had significantly higher leaf boron contents than on Carrizo citrange and red tangerine rootstocks. Compared with the adult citrus trees (above 8 year-old), 6.6% more of leaf samples of younger trees (3 to 8 year-old) contained boron contents in the optimum range (35-100 mg x kg(-1)).

BN Bonded BN fiber article and method of manufacture

DOEpatents

Hamilton, Robert S.

1981-08-18

A boron nitride bonded boron nitride fiber article and the method for its manufacture which comprises forming a shaped article with a composition comprising a bonding compound selected from boron oxide and boric acid and a structural fiber selected from the group consisting of boron oxide, boron nitride and partially nitrided boron oxide fibers, heating the composition in an anhydrous gas to a temperature above the melting point of the compound and nitriding the resulting article in ammonia gas.

Boron hydride polymer coated substrates

DOEpatents

Pearson, R.K.; Bystroff, R.I.; Miller, D.E.

1986-08-27

A method is disclosed for coating a substrate with a uniformly smooth layer of a boron hydride polymer. The method comprises providing a reaction chamber which contains the substrate and the boron hydride plasma. A boron hydride feed stock is introduced into the chamber simultaneously with the generation of a plasma discharge within the chamber. A boron hydride plasma of ions, electrons and free radicals which is generated by the plasma discharge interacts to form a uniformly smooth boron hydride polymer which is deposited on the substrate.

Process to produce silicon carbide fibers using a controlled concentration of boron oxide vapor

NASA Technical Reports Server (NTRS)

Barnard, Thomas Duncan (Inventor); Lipowitz, Jonathan (Inventor); Nguyen, Kimmai Thi (Inventor)

2001-01-01

A process for producing polycrystalline silicon carbide by heating an amorphous ceramic fiber that contains silicon and carbon in an environment containing boron oxide vapor. The boron oxide vapor is produced in situ by the reaction of a boron containing material such as boron carbide and an oxidizing agent such as carbon dioxide, and the amount of boron oxide vapor can be controlled by varying the amount and rate of addition of the oxidizing agent.

Boron hydride polymer coated substrates

DOEpatents

Pearson, Richard K.; Bystroff, Roman I.; Miller, Dale E.

1987-01-01

A method is disclosed for coating a substrate with a uniformly smooth layer of a boron hydride polymer. The method comprises providing a reaction chamber which contains the substrate and the boron hydride plasma. A boron hydride feed stock is introduced into the chamber simultaneously with the generation of a plasma discharge within the chamber. A boron hydride plasma of ions, electrons and free radicals which is generated by the plasma discharge interacts to form a uniformly smooth boron hydride polymer which is deposited on the substrate.

Process to produce silicon carbide fibers using a controlled concentration of boron oxide vapor

NASA Technical Reports Server (NTRS)

Barnard, Thomas Duncan (Inventor); Lipowitz, Jonathan (Inventor); Nguyen, Kimmai Thi (Inventor)

2000-01-01

A process for producing polycrystalline silicon carbide includes heating an amorphous ceramic fiber that contains silicon and carbon in an environment containing boron oxide vapor. The boron oxide vapor is produced in situ by the reaction of a boron containing material such as boron carbide and an oxidizing agent such as carbon dioxide, and the amount of boron oxide vapor can be controlled by varying the amount and rate of addition of the oxidizing agent.

Proposed physiologic functions of boron in plants pertinent to animal and human metabolism.

PubMed Central

Blevins, D G; Lukaszewski, K M

1994-01-01

Boron has been recognized since 1923 as an essential micronutrient element for higher plants. Over the years, many roles for boron in plants have been proposed, including functions in sugar transport, cell wall synthesis and lignification, cell wall structure, carbohydrate metabolism, RNA metabolism, respiration, indole acetic acid metabolism, phenol metabolism and membrane transport. However, the mechanism of boron involvement in each case remains unclear. Recent work has focused on two major plant-cell components: cell walls and membranes. In both, boron could play a structural role by bridging hydroxyl groups. In membranes, it could also be involved in ion transport and redox reactions by stimulating enzymes like nicotinamide adenine dinucleotide and reduced (NADH) oxidase. There is a very narrow window between the levels of boron required by and toxic to plants. The mechanisms of boron toxicity are also unknown. In nitrogen-fixing leguminous plants, foliarly applied boron causes up to a 1000% increase in the concentration of allantoic acid in leaves. In vitro studies show that boron inhibits the manganese-dependent allantoate amidohydrolase, and foliar application of manganese prior to application of boron eliminates allantoic acid accumulation in leaves. Interaction between borate and divalent cations like manganese may alter metabolic pathways, which could explain why higher concentrations of boron can be toxic to plants. PMID:7889877

Na{sub 3}[B{sub 20}H{sub 17}NH{sub 3}]: Synthesis and liposomal delivery to murine tumors

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

Feakes, D.A.; Shelly, K.; Knobler, C.B.

1994-04-12

The polyhedral borane ion [n-B{sub 20}H{sub 18}]{sup 2{minus}} reacts with liquid ammonia in the presence of a suitable base to produce an apical-equatorial (ae) isomer of the [B{sub 20}H{sub 17}NH{sub 3}]{sup 3{minus}} ion, [1-(2{prime}-B{sub 10}H{sub 9})-2-NH{sub 3}B{sub 10}H{sub 8}]{sup 3{minus}}. The structure of this product has been confirmed by {sup 11}B NMR spectroscopy and x-ray crystallography. This species undergoes acid-catalyzed rearrangement to an apical-apical (a{sup 2}) isomer, [1-(1{prime}-B{sub 10}H{sub 9})-2-NH{sub 3}B{sub 10}H{sub 8}]{sup 3{minus}}, whose structure has been determined by {sup 11}B NMR spectroscopy. The sodium salts of both the ae and the a{sup 2} isomers of [B{sub 20}H{sub 17}NH{submore » 3}]{sup 3{minus}} have been encapsulated within small unilamellar liposomes, composed of distearoyl phosphatidyl-choline/cholesterol (1:1), and investigated as boron-delivery agents for boron neutron capture therapy (BNCT) of cancer. The biodistribution of boron was determined after the injection of liposomal suspensions into BALB/c mice bearing EMT6 tumors. Both [B{sub 20}H{sub 17}NH{sub 3}]{sup 3{minus}} isomers exhibited excellent tumor uptake and selectivity at very low injected doses, achieving peak tumor boron concentrations of 30-40 {mu}g of B/g of tissue and tumor/blood boron ratios of {approximately}5. The enhanced retention of the [B{sub 20}H{sub 17}NH{sub 3}]{sup 3{minus}} isomers by EMT6 tumors may be attributed to their facile intracellular oxidation. In another experiment, [ae-B{sub 20}H{sub 17}NH{sub 3}]{sup 3{minus}} was encapsulated in liposomes prepared with 5% PEG-2000-distearoyl phosphatidylethanolamine in the liposome membrane. As expected, these liposomes exhibited a longer circulation lifetime in the biodistribution experiment, resulting in the continued accumulation of boron in the tumor over the entire 48-hr experiment and reaching a maximum of 47 {mu}g of B/g of tumor.« less

Theoretical research program to study transition metal trimers and embedded clusters

NASA Technical Reports Server (NTRS)

Walch, S. P.

1984-01-01

Small transition metal clusters were studied at a high level of approximation, including all the valence electrons in the calculation and extensive electron correlation, in order to understand the electronic structure of these small metal clusters. By comparison of dimers, trimers, and possibly higher clusters, the information obtained was used to provide insights into the electronic structure of bulk transition metals. Small metal clusters are currently of considerable experimental interest and some information is becomming available both from matrix electron spin resonance studies and from gas phase spectroscopy. Collaboration between theorists and experimentalists is thus expected to be especially profitable at this time since there is some experimental information which can serve to guide the theoretical work.

Occupational risk factors for Wilms' tumor

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

Bunin, G.; Kramer, S.; Nass, C.

A matched case-control study of Wilms' tumor investigated parental occupational risk factors. Cases diagnosed in 1970-1983 were identified through a population-based tumor registry and hospital registries in the Greater Philadelphia area. Controls were selected by random digit dialing and were matched to cases on race, birth date (+/- 3 years), and the area code and exchange of the case's telephone number at diagnosis. Parents of 100 matched pairs were interviewed by telephone. Parents of patients and controls were generally similar in demographic characteristics, except that mothers differed in religion. Published schemes were used to group jobs into clusters of similarmore » exposures and to determine exposures from industry and job title. Analyses were done for preconception, pregnancy, and postnatal time periods. More case than control fathers had jobs in a cluster that includes machinists and welders (odds ratios (ORs) = 4.0-5.7, p less than or equal to 0.04). Paternal exposures to lead, silver, tin, and iron (some exposures of this cluster) were associated with Wilms' tumor in some analyses, with moderate odds ratios (ORs = 1.5-3.4). In general, the highest odds ratios were found for the preconception period among the genetic (prezygotic) cases. No maternal job clusters or exposures gave significantly elevated odds ratios. These results support a previous finding that lead is a risk factor, but not radiation, hydrocarbon, or boron exposures.« less

Thermal neutron shield and method of manufacture

DOEpatents

Metzger, Bert Clayton; Brindza, Paul Daniel

2014-03-04

A thermal neutron shield comprising boron shielding panels with a high percentage of the element Boron. The panel is least 46% Boron by weight which maximizes the effectiveness of the shielding against thermal neutrons. The accompanying method discloses the manufacture of boron shielding panels which includes enriching the pre-cursor mixture with varying grit sizes of Boron Carbide.

Thermally-Activated, Delayed Fluorescence in O,B,O- and N,B,O-Strapped Boron Dipyrromethene Derivatives.

PubMed

Stachelek, Patrycja; Alsimaree, Abdulrahman A; Alnoman, Rua B; Harriman, Anthony; Knight, Julian G

2017-03-16

A small series of boron dipyrromethene (BODIPY) dyes has been synthesized whereby the boron atom is constrained in a five-membered ring formed from either o-dihydroxypyridine or o-aminophenol. In the latter case, the amino group has been converted into the corresponding amide derivative so as to curtail the possibility for light-induced charge transfer from strap to BODIPY. These compounds are weakly emissive in fluid solution but cleavage of the strap, by treatment with a photoacid generator, restores strong fluorescence. Surprisingly, the same compounds remain weakly fluorescent in a rigid glass at 80 K where light-induced charge transfer is most unlikely. In fluid solution, the fluorescence quantum yield increases with increasing temperature due to a thermally activated step but does not correlate with the thermodynamics for intramolecular charge transfer. It is proposed that the strap causes rupture of the potential energy surface for the excited state, creating traps that provide new routes by which the wave packet can return to the ground state. Access to the trap from the excited state is reversible, leading to the delayed emission. Analysis of the temperature dependent emission intensities allows estimation of the kinetic parameters associated with entering and leaving the trap.

Chemical Interaction-Guided, Metal-Free Growth of Large-Area Hexagonal Boron Nitride on Silicon-Based Substrates.

PubMed

Behura, Sanjay; Nguyen, Phong; Debbarma, Rousan; Che, Songwei; Seacrist, Michael R; Berry, Vikas

2017-05-23

Hexagonal boron nitride (h-BN) is an ideal platform for interfacing with two-dimensional (2D) nanomaterials to reduce carrier scattering for high-quality 2D electronics. However, scalable, transfer-free growth of hexagonal boron nitride (h-BN) remains a challenge. Currently, h-BN-based 2D heterostructures require exfoliation or chemical transfer of h-BN grown on metals resulting in small areas or significant interfacial impurities. Here, we demonstrate a surface-chemistry-influenced transfer-free growth of large-area, uniform, and smooth h-BN directly on silicon (Si)-based substrates, including Si, silicon nitride (Si 3 N 4 ), and silicon dioxide (SiO 2 ), via low-pressure chemical vapor deposition. The growth rates increase with substrate electronegativity, Si < Si 3 N 4 < SiO 2 , consistent with the adsorption rates calculated for the precursor molecules via atomistic molecular dynamics simulations. Under graphene with high grain density, this h-BN film acts as a polymer-free, planar-dielectric interface increasing carrier mobility by 3.5-fold attributed to reduced surface roughness and charged impurities. This single-step, chemical interaction guided, metal-free growth mechanism of h-BN for graphene heterostructures establishes a potential pathway for the design of complex and integrated 2D-heterostructured circuitry.

Microwave-assisted boron and nitrogen co-doped reduced graphene oxide as a transparent conductive electrode

NASA Astrophysics Data System (ADS)

Umrao, Sima; Mishra, Himanshu; Srivastava, Anchal; Lee, Sungjoo

2017-07-01

A crystalline Boron (B)- and Nitrogen (N)-co-doped microwave-assisted reduced graphene oxide (BNMRGO) film was investigated as a potential transparent conducting electrode (TCE) material. X-ray diffraction results revealed the good crystallinity of the BNMRGO film, and the presence of a (0004) reflection plane indicated the formation of a few small domains of hexagonal boron nitride in the microwave assisted reduced graphene oxide (MRGO) sheets under the co-doping process. Raman and X-ray photoelectron spectroscopic results indicated a reduction of sp3 carbon centers upon co-doping. The ID/IG ratio decreased after co-doping from 0.89 to 0.24, indicating a low average defect density of ˜1.01 × 1010 cm-2. Optoelectronic characterization of the BNMRGO film on a glass substrate revealed a high optical transparency of 82% at 550 nm and a low sheet resistance (Rsh) of 355 Ω/sq, which was lower than that observed from the MRGO sheets (Rsh = 719 Ω/sq). BNMRGO provided a ratio between the direct conductivity (σdc) to the optical conductivity (σoc), that is, the figure of merit of a TCE material, of 5.96. Overall, this work paves the way toward developing a manufacturable TCE.

Synthesis, salvage, and catabolism of uridine nucleotides in boron-deficient squash roots.

PubMed

Lovatt, C J; Albert, L S; Tremblay, G C

1981-12-01

Previous work has provided evidence that plants may require boron to maintain adequate levels of pyrimidine nucleotides, suggesting that the state of boron deficiency may actually be one of pyrimidine starvation. Since the availability of pyrimidine nucleotides is influenced by their rates of synthesis, salvage, and catabolism, we compared these activities in the terminal 3 centimeters of roots excised from boron-deficient and -sufficient squash plants (Cucurbita pepo L.). Transferring 5-day-old squash plants to a boron-deficient nutrient solution resulted in cessation of root elongation within 18 hours. However, withholding boron for up to 30 hours did not result in either impaired de novo pyrimidine biosynthesis or a change in the sensitivity of the de novo pathway to regulation by end product inhibition. Boron deprivation had no significant effect on pyrimidine salvage or catabolism. These results provide evidence that boron-deficient plants are not starved for uridine nucleotides collectively. Whether a particular pyrimidine nucleotide or derivative is limiting during boron deprivation remains to be examined.

Asymmetric homologation of boronic esters bearing azido and silyloxy substituents.

PubMed

Singh, R P; Matteson, D S

2000-10-06

In the asymmetric homologation of boronic esters with a (dihalomethyl)lithium, substituents that can bind metal cations tend to interfere. Accordingly, we undertook the introduction of weakly basic oxygen and nitrogen substituents into boronic esters in order to maximize the efficiency of multistep syntheses utilizing this chemistry. Silyloxy boronic esters cannot be made efficiently by direct substitution, but a (hydroxymethyl)boronic ester has been silylated in the usual manner. Conversion of alpha-halo boronic esters to alpha-azido boronic esters has been carried out with sodium azide and a tetrabutylammonium salt as phase-transfer catalyst in a two-phase system with water and either nitromethane or ethyl acetate. These are safer solvents than the previously used dichloromethane, which can form an explosive byproduct with azide ion. Boronic esters containing silyloxy or alkoxy and azido substituents have been shown to react efficiently with (dihalomethyl)lithiums, resulting in efficient asymmetric insertion of the halomethyl group into the carbon-boron bond.

Boron chemicals in diagnosis and therapeutics

PubMed Central

Das, Bhaskar C; Thapa, Pritam; Karki, Radha; Schinke, Caroline; Das, Sasmita; Kambhampati, Suman; Banerjee, Sushanta K; Van Veldhuizen, Peter; Verma, Amit; Weiss, Louis M; Evans, Todd

2013-01-01

Advances in the field of boron chemistry have expanded the application of boron from material use to medicine. Boron-based drugs represent a new class of molecules that possess several biomedical applications including use as imaging agents for both optical and nuclear imaging as well as therapeutic agents with anticancer, antiviral, antibacterial, antifungal and other disease-specific activities. For example, bortezomib (Velcade®), the only drug in clinical use with boron as an active element, was approved in 2003 as a proteasome inhibitor for the treatment of multiple myeloma and non-Hodgkin’s lymphoma. Several other boron-based compounds are in various phases of clinical trials, which illustrates the promise of this approach for medicinal chemists working in the area of boron chemistry. It is expected that in the near future, several boron-containing drugs should become available in the market with better efficacy and potency than existing drugs. This article discusses the current status of the development of boron-based compounds as diagnostic and therapeutic agents in humans. PMID:23617429

Power and money in cluster randomized trials: when is it worth measuring a covariate?

PubMed

Moerbeek, Mirjam

2006-08-15

The power to detect a treatment effect in cluster randomized trials can be increased by increasing the number of clusters. An alternative is to include covariates into the regression model that relates treatment condition to outcome. In this paper, formulae are derived in order to evaluate both strategies on basis of their costs. It is shown that the strategy that uses covariates is more cost-efficient in detecting a treatment effect when the costs to measure these covariates are small and the correlation between the covariates and outcome is sufficiently large. The minimum required correlation depends on the cluster size, and the costs to recruit a cluster and to measure the covariate, relative to the costs to recruit a person. Measuring a covariate that varies at the person level only is recommended when cluster sizes are small and the costs to recruit and measure a cluster are large. Measuring a cluster level covariate is recommended when cluster sizes are large and the costs to recruit and measure a cluster are small. An illustrative example shows the use of the formulae in a practical setting. Copyright 2006 John Wiley & Sons, Ltd.

WFPC2 Observations of Star Clusters in the Magellanic Clouds. Report 2; The Oldest Star Clusters in the Small Magellanic Cloud

NASA Technical Reports Server (NTRS)

Mighell, Kenneth J.; Sarajedini, Ata; French, Rica S.

1998-01-01

We present our analysis of archival Hubble Space Telescope Wide Field Planetary Camera 2 (WFPC2) observations in F45OW ( approximately B) and F555W (approximately V) of the intermediate-age populous star clusters NGC 121, NGC 339, NGC 361, NGC 416, and Kron 3 in the Small Magellanic Cloud. We use published photometry of two other SMC populous star clusters, Lindsay 1 and Lindsay 113, to investigate the age sequence of these seven populous star clusters in order to improve our understanding of the formation chronology of the SMC. We analyzed the V vs B-V and M(sub V) vs (B-V)(sub 0) color-magnitude diagrams of these populous Small Magellanic Cloud star clusters using a variety of techniques and determined their ages, metallicities, and reddenings. These new data enable us to improve the age-metallicity relation of star clusters in the Small Magellanic Cloud. In particular, we find that a closed-box continuous star-formation model does not reproduce the age-metallicity relation adequately. However, a theoretical model punctuated by bursts of star formation is in better agreement with the observational data presented herein.

Lateral gas phase diffusion length of boron atoms over Si/B surfaces during CVD of pure boron layers

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

Mohammadi, V., E-mail: V.Mohammadi@tudelft.nl; Nihtianov, S.

The lateral gas phase diffusion length of boron atoms, L{sub B}, along silicon and boron surfaces during chemical vapor deposition (CVD) using diborane (B{sub 2}H{sub 6}) is reported. The value of L{sub B} is critical for reliable and uniform boron layer coverage. The presented information was obtained experimentally and confirmed analytically in the boron deposition temperature range from 700 °C down to 400 °C. For this temperature range the local loading effect of the boron deposition is investigated on the micro scale. A L{sub B} = 2.2 mm was determined for boron deposition at 700 °C, while a L{sub B}more » of less than 1 mm was observed at temperatures lower than 500 °C.« less

Boron analysis for neutron capture therapy using particle-induced gamma-ray emission.

PubMed

Nakai, Kei; Yamamoto, Yohei; Okamoto, Emiko; Yamamoto, Tetsuya; Yoshida, Fumiyo; Matsumura, Akira; Yamada, Naoto; Kitamura, Akane; Koka, Masashi; Satoh, Takahiro

2015-12-01

The neutron source of BNCT is currently changing from reactor to accelerator, but peripheral facilities such as a dose-planning system and blood boron analysis have still not been established. To evaluate the potential application of particle-induced gamma-ray emission (PIGE) for boron measurement in clinical boron neutron capture therapy, boronophenylalanine dissolved within a cell culture medium was measured using PIGE. PIGE detected 18 μgB/mL f-BPA in the culture medium, and all measurements of any given sample were taken within 20 min. Two hours of f-BPA exposure was required to create a boron distribution image. However, even though boron remained in the cells, the boron on the cell membrane could not be distinguished from the boron in the cytoplasm. Copyright © 2015 Elsevier Ltd. All rights reserved.

The versatility of boron in biological target engagement

NASA Astrophysics Data System (ADS)

Diaz, Diego B.; Yudin, Andrei K.

2017-08-01

Boron-containing molecules have been extensively used for the purposes of chemical sensing, biological probe development and drug discovery. Due to boron's empty p orbital, it can coordinate to heteroatoms such as oxygen and nitrogen. This reversible covalent mode of interaction has led to the use of boron as bait for nucleophilic residues in disease-associated proteins, culminating in the approval of new therapeutics that work by covalent mechanisms. Our analysis of a wide range of covalent inhibitors with electrophilic groups suggests that boron is a unique electrophile in its chameleonic ability to engage protein targets. Here we review boron's interactions with a range of protein side-chain residues and reveal that boron's properties are nuanced and arise from its uncommon coordination preferences. These mechanistic and structural insights should serve as a guide for the development of selective boron-based bioactive molecules.

Methylboronic acid fertilization alleviates boron deficiency symptoms in Arabidopsis thaliana.

PubMed

Duran, Catherine; Arce-Johnson, Patricio; Aquea, Felipe

2018-07-01

Our results showed that methylboronic acid is capable of alleviating boron deficiency, enhancing plant growth, and is less toxic than boric acid at higher concentrations. Boron is an essential plant micronutrient and its deficiency occurs in several regions globally, resulting in impaired plant growth. Boron fertilization is a common agricultural practice, but the action range of boron is narrow, sharply transitioning from deficiency to toxicity. Boric acid (BA) is the most common chemical form used in agriculture. In this work, we describe that methylboronic acid (MBA) is capable of alleviating boron deficiency in Arabidopsis. MBA is a boronic acid, but does not naturally occur in soils, necessitating synthesis. Other boronic acids have been described as boron competitors in plants, inhibiting auxin biosynthesis and root development. MBA is more water-soluble than BA and delivers the same amount of boron per molecule. We observed that Arabidopsis seedlings grown in the presence of MBA presented higher numbers of lateral roots and greater main root length compared to plants grown in BA. In addition, root hair length and leaf surface area were increased using MBA as a boron fertilizer. Finally, MBA was less toxic than BA at high concentrations, producing a slight reduction in the main root length but no decrease in total chlorophyll. Our results open a new opportunity to explore the use of a synthetic form of boron in agriculture, providing a tool for future research for plant nutrition.

Singlet and triplet trions in WS2 monolayer encapsulated in hexagonal boron nitride.

PubMed

Vaclavkova, D; Wyzula, J; Nogajewski, K; Bartos, M; Slobodeniuk, A O; Faugeras, C; Potemski, M; Molas, M R

2018-08-10

Embedding a WS 2 monolayer in flakes of hexagonal boron nitride allowed us to resolve and study the photoluminescence response due to both singlet and triplet states of negatively charged excitons (trions) in this atomically thin semiconductor. The energy separation between the singlet and triplet states has been found to be relatively small reflecting rather weak effects of the electron-electron exchange interaction for the trion triplet in a WS 2 monolayer, which involves two electrons with the same spin but from different valleys. Polarization-resolved experiments demonstrate that the helicity of the excitation light is better preserved in the emission spectrum of the triplet trion than in that of the singlet trion. Finally, the singlet (intravalley) trions are found to be observable even at ambient conditions whereas the emission due to the triplet (intervalley) trions is only efficient at low temperatures.

Structural Evolution of Silicon Oxynitride Fiber Reinforced Boron Nitride Matrix Composite at High Temperatures

NASA Astrophysics Data System (ADS)

Zou, Chunrong; Li, Bin; Zhang, Changrui; Wang, Siqing; Xie, Zhengfang; Shao, Changwei

2016-02-01

The structural evolution of a silicon oxynitride fiber reinforced boron nitride matrix (Si-N-Of/BN) wave-transparent composite at high temperatures was investigated. When heat treated at 1600 °C, the composite retained a favorable bending strength of 55.3 MPa while partially crystallizing to Si2N2O and h-BN from the as-received amorphous structure. The Si-N-O fibers still performed as effective reinforcements despite the presence of small pores due to fiber decomposition. Upon heat treatment at 1800 °C, the Si-N-O fibers already lost their reinforcing function and rough hollow microstructure formed within the fibers because of the accelerated decomposition. Further heating to 2000 °C led to the complete decomposition of the reinforcing fibers and only h-BN particles survived. The crystallization and decomposition behaviors of the composite at high temperatures are discussed.

Decoupled electron and phonon transports in hexagonal boron nitride-silicene bilayer heterostructure

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

Cai, Yongqing; Pei, Qing-Xiang, E-mail: peiqx@ihpc.a-star.edu.sg, E-mail: zhangg@ihpc.a-star.edu.sg; Zhang, Gang, E-mail: peiqx@ihpc.a-star.edu.sg, E-mail: zhangg@ihpc.a-star.edu.sg

2016-02-14

Calculations based on the density functional theory and empirical molecular dynamics are performed to investigate interlayer interaction, electronic structure and thermal transport of a bilayer heterostructure consisting of silicene and hexagonal boron nitride (h-BN). In this heterostructure, the two layers are found to interact weakly via a non-covalent binding. As a result, the Dirac cone of silicene is preserved with the Dirac cone point being located exactly at the Fermi level, and only a small amount of electrons are transferred from h-BN to silicene, suggesting that silicene dominates the electronic transport. Molecular dynamics calculation results demonstrate that the heat currentmore » along h-BN is six times of that along silicene, suggesting that h-BN dominates the thermal transport. This decoupled role of h-BN and silicene in thermal and electronic transport suggests that the BN-silicene bilayer heterostructure is promising for thermoelectric applications.« less

A Neutral Silicon/Phosphorus Frustrated Lewis Pair.

PubMed

Waerder, Benedikt; Pieper, Martin; Körte, Leif A; Kinder, Timo A; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W

2015-11-02

Frustrated Lewis pairs (FLPs) have a great potential for activation of small molecules. Most known FLP systems are based on boron or aluminum atoms as acid functions, few on zinc, and only two on boron-isoelectronic silicenium cation systems. The first FLP system based on a neutral silane, (C2F5)3SiCH2P(tBu)2 (1), was prepared from (C2F5)3SiCl with C2F5 groups of very high electronegativity and LiCH2P(tBu)2. 1 is capable of cleaving hydrogen, and adds CO2 and SO2. Hydrogen splitting was confirmed by H/D scrambling reactions. The structures of 1, its CO2 and SO2 adducts, and a decomposition product with CO2 were elucidated by X-ray diffraction. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Boron supercapacitors

DOE PAGES

Zhan, Cheng; Zhang, Pengfei; Dai, Sheng; ...

2016-11-16

Supercapacitors based on the electric double-layer mechanism use porous carbons or graphene as electrodes. To move beyond this paradigm, we propose boron supercapacitors to leverage two-dimensional (2D) boron sheets’ metallicity and low weight. Six 2D boron sheets from both previous theoretical design and experimental growth are chosen as test electrodes. By applying joint density functional theory (JDFT) to the electrode–electrolyte system, we examine how the 2D boron sheets charge up against applied potential. JDFT predicts that these 2D boron sheets exhibit specific capacitance on the order of 400 F/g, about four times that of graphene. As a result, our workmore » suggests that 2D boron sheets are promising electrodes for supercapacitor applications.« less

Boron supercapacitors

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

Zhan, Cheng; Zhang, Pengfei; Dai, Sheng

Supercapacitors based on the electric double-layer mechanism use porous carbons or graphene as electrodes. To move beyond this paradigm, we propose boron supercapacitors to leverage two-dimensional (2D) boron sheets’ metallicity and low weight. Six 2D boron sheets from both previous theoretical design and experimental growth are chosen as test electrodes. By applying joint density functional theory (JDFT) to the electrode–electrolyte system, we examine how the 2D boron sheets charge up against applied potential. JDFT predicts that these 2D boron sheets exhibit specific capacitance on the order of 400 F/g, about four times that of graphene. As a result, our workmore » suggests that 2D boron sheets are promising electrodes for supercapacitor applications.« less

Crystalline boron nitride aerogels

DOEpatents

Zettl, Alexander K.; Rousseas, Michael; Goldstein, Anna P.; Mickelson, William; Worsley, Marcus A.; Woo, Leta

2017-04-04

This disclosure provides methods and materials related to boron nitride aerogels. In one aspect, a material comprises an aerogel comprising boron nitride. The boron nitride has an ordered crystalline structure. The ordered crystalline structure may include atomic layers of hexagonal boron nitride lying on top of one another, with atoms contained in a first layer being superimposed on atoms contained in a second layer.

Process for making boron nitride using sodium cyanide and boron

DOEpatents

Bamberger, Carlos E.

1990-02-06

This a very simple process for making boron nitride by mixing sodium cyanide and boron phosphate and heating the mixture in an inert atmosphere until a reaction takes place. The product is a white powder of boron nitride that can be used in applications that require compounds that are stable at high temperatures and that exhibit high electrical resistance.

Process for making boron nitride using sodium cyanide and boron

DOEpatents

Bamberger, Carlos E.

1990-01-01

This a very simple process for making boron nitride by mixing sodium cyanide and boron phosphate and heating the mixture in an inert atmosphere until a reaction takes place. The product is a white powder of boron nitride that can be used in applications that require compounds that are stable at high temperatures and that exhibit high electrical resistance.

Boron Toxicity Causes Multiple Effects on Malus domestica Pollen Tube Growth.

PubMed

Fang, Kefeng; Zhang, Weiwei; Xing, Yu; Zhang, Qing; Yang, Liu; Cao, Qingqin; Qin, Ling

2016-01-01

Boron is an important micronutrient for plants. However, boron is also toxic to cells at high concentrations, although the mechanism of this toxicity is not known. This study aimed to evaluate the effect of boron toxicity on Malus domestica pollen tube growth and its possible regulatory pathway. Our results showed that a high concentration of boron inhibited pollen germination and tube growth and led to the morphological abnormality of pollen tubes. Fluorescent labeling coupled with a scanning ion-selective electrode technique detected that boron toxicity could decrease [Ca(2+)]c and induce the disappearance of the [Ca(2+)]c gradient, which are critical for pollen tube polar growth. Actin filaments were therefore altered by boron toxicity. Immuno-localization and fluorescence labeling, together with fourier-transform infrared analysis, suggested that boron toxicity influenced the accumulation and distribution of callose, de-esterified pectins, esterified pectins, and arabinogalactan proteins in pollen tubes. All of the above results provide new insights into the regulatory role of boron in pollen tube development. In summary, boron likely plays a structural and regulatory role in relation to [Ca(2+)]c, actin cytoskeleton and cell wall components and thus regulates Malus domestica pollen germination and tube polar growth.

Boron Toxicity Causes Multiple Effects on Malus domestica Pollen Tube Growth

PubMed Central

Fang, Kefeng; Zhang, Weiwei; Xing, Yu; Zhang, Qing; Yang, Liu; Cao, Qingqin; Qin, Ling

2016-01-01

Boron is an important micronutrient for plants. However, boron is also toxic to cells at high concentrations, although the mechanism of this toxicity is not known. This study aimed to evaluate the effect of boron toxicity on Malus domestica pollen tube growth and its possible regulatory pathway. Our results showed that a high concentration of boron inhibited pollen germination and tube growth and led to the morphological abnormality of pollen tubes. Fluorescent labeling coupled with a scanning ion-selective electrode technique detected that boron toxicity could decrease [Ca2+]c and induce the disappearance of the [Ca2+]c gradient, which are critical for pollen tube polar growth. Actin filaments were therefore altered by boron toxicity. Immuno-localization and fluorescence labeling, together with fourier-transform infrared analysis, suggested that boron toxicity influenced the accumulation and distribution of callose, de-esterified pectins, esterified pectins, and arabinogalactan proteins in pollen tubes. All of the above results provide new insights into the regulatory role of boron in pollen tube development. In summary, boron likely plays a structural and regulatory role in relation to [Ca2+]c, actin cytoskeleton and cell wall components and thus regulates Malus domestica pollen germination and tube polar growth. PMID:26955377

Application of proton boron fusion reaction to radiation therapy: A Monte Carlo simulation study

NASA Astrophysics Data System (ADS)

Yoon, Do-Kun; Jung, Joo-Young; Suh, Tae Suk

2014-12-01

Three alpha particles are emitted from the point of reaction between a proton and boron. The alpha particles are effective in inducing the death of a tumor cell. After boron is accumulated in the tumor region, the emitted from outside the body proton can react with the boron in the tumor region. An increase of the proton's maximum dose level is caused by the boron and only the tumor cell is damaged more critically. In addition, a prompt gamma ray is emitted from the proton boron reaction point. Here, we show that the effectiveness of the proton boron fusion therapy was verified using Monte Carlo simulations. We found that a dramatic increase by more than half of the proton's maximum dose level was induced by the boron in the tumor region. This increase occurred only when the proton's maximum dose point was located within the boron uptake region. In addition, the 719 keV prompt gamma ray peak produced by the proton boron fusion reaction was positively detected. This therapy method features the advantages such as the application of Bragg-peak to the therapy, the accurate targeting of tumor, improved therapy effects, and the monitoring of the therapy region during treatment.

Lack of small-scale clustering in 21-cm intensity maps crossed with 2dF galaxy densities at z ~ 0.08

NASA Astrophysics Data System (ADS)

Anderson, Christopher; Luciw, Nicholas; Li, Yi-Chao; Kuo, Cheng-Yu; Yadav, Jaswant; Masui, Kiyoshi; Chang, Tzu-Ching; Chen, Xuelei; Oppermann, Niels; Pen, Ue-Li; Timbie, Peter T.

2017-06-01

I report results from 21-cm intensity maps acquired from the Parkes radio telescope and cross-correlated with galaxy maps from the 2dF galaxy survey. The data span the redshift range 0.057

Characterization of Boron Contamination in Fluorine Implantation using Boron Trifluoride as a Source Material

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

Schmeide, Matthias; Kondratenko, Serguei

2011-01-07

Fluorine implantation process purity was considered on different types of high current implanters. It was found that implanters equipped with an indirectly heated cathode ion source show an enhanced deep boron contamination compared to a high current implanter using a cold RF-driven multicusp ion source when boron trifluoride is used for fluorine implantations. This contamination is directly related to the source technology and thus, should be considered potentially for any implanter design using hot cathode/hot filament ion source, independently of the manufacturer.The boron contamination results from the generation of double charged boron ions in the arc chamber and the subsequentmore » charge exchange reaction to single charged boron ions taking place between the arc chamber and the extraction electrode. The generation of the double charged boron ions depends mostly on the source parameters, whereas the pressure in the region between the arc chamber and the extraction electrode is mostly responsible for the charge exchange from double charged to single charged ions. The apparent mass covers a wide range, starting at mass 11. A portion of boron ions with energies of (19/11) times higher than fluorine energy has the same magnetic rigidity as fluorine beam and cannot be separated by the analyzer magnet. The earlier described charge exchange effects between the extraction electrode and the entrance to the analyzer magnet, however, generates boron beam with a higher magnetic rigidity compared to fluorine beam and cannot cause boron contamination after mass-separation.The energetic boron contamination was studied as a function of the ion source parameters, such as gas flow, arc voltage, and source magnet settings, as well as analyzing magnet aperture resolution. This allows process optimization reducing boron contamination to the level acceptable for device performance.« less

Mathematical modeling based evaluation and simulation of boron removal in bioelectrochemical systems.

PubMed

Ping, Qingyun; Abu-Reesh, Ibrahim M; He, Zhen

2016-11-01

Boron removal is an arising issue in desalination plants due to boron's toxicity. As an emerging treatment concept, bioelectrochemical systems (BES) can achieve potentially cost-effective boron removal by taking advantage of cathodic-produced alkali. Prior studies have demonstrated successful removal of boron in microbial desalination cells (MDCs) and microbial fuel cells (MFCs), both of which are representative BES. Herein, mathematical models were developed to further evaluate boron removal by different BES and understand the key operating factors. The models delivered very good prediction of the boron concentration in the MDC integrated with Donnan Dialysis (DD) system with the lowest relative root-mean-square error (RMSE) of 0.00%; the predication of the MFC performance generated the highest RMSE of 18.55%. The model results of salt concentration, solution pH, and current generation were well fitted with experimental data for RMSE values mostly below 10%. The long term simulation of the MDC-DD system suggests that the accumulation of salt in the catholyte/stripping solution could have a positive impact on the removal of boron due to osmosis-driven convection. The current generation in the MDC may have little influence on the boron removal, while in the MFC the current-driven electromigration can contribute up to 40% of boron removal. Osmosis-induced convection transport of boron could be the major driving force for boron removal to a low level <2mgL(-1). The ratio between the anolyte and the catholyte flow rates should be kept >22.2 in order to avoid boron accumulation in the anolyte effluent. Copyright © 2016 Elsevier B.V. All rights reserved.

Biological effects of tolerable level chronic boron intake on transcription factors.

PubMed

Orenay Boyacioglu, Seda; Korkmaz, Mehmet; Kahraman, Erkan; Yildirim, Hatice; Bora, Selin; Ataman, Osman Yavuz

2017-01-01

The mechanism of boron effect on human transcription and translation has not been fully understood. In the current study it was aimed to reveal the role of boron on the expression of certain transcription factors that play key roles in many cellular pathways on human subjects chronically exposed to low amounts of boron. The boron concentrations in drinking water samples were 1.57±0.06mg/l for boron group while the corresponding value for the control group was 0.016±0.002mg/l. RNA isolation was performed using PAX gene RNA kit on the blood samples from the subjects. The RNA was then reverse transcribed into cDNA and analyzed using the Human Transcription Factors RT 2 Profiler™ PCR Arrays. While the boron amount in urine was detected as 3.56±1.47mg/day in the boron group, it was 0.72±0.30mg/day in the control group. Daily boron intake of the boron and control groups were calculated to be 6.98±3.39 and 1.18±0.41mg/day, respectively. The expression levels of the transcription factor genes were compared between the boron and control groups and no statistically significant difference was detected (P>0.05). The data suggest that boron intake at 6.98±3.39mg/day, which is the dose at which beneficial effects might be seen, does not result in toxicity at molecular level since the expression levels of transcription factors are not changed. Although boron intake over this level will seem to increase RNA synthesis, further examination of the topic is needed using new molecular epidemiological data. Copyright © 2016 Elsevier GmbH. All rights reserved.

Decreasing boron concentrations in UK rivers: insights into reductions in detergent formulations since the 1990s and within-catchment storage issues.

PubMed

Neal, Colin; Williams, Richard J; Bowes, Michael J; Harrass, Michael C; Neal, Margaret; Rowland, Philip; Wickham, Heather; Thacker, Sarah; Harman, Sarah; Vincent, Colin; Jarvie, Helen P

2010-02-15

The changing patterns of riverine boron concentration are examined for the Thames catchment in southern/southeastern England using data from 1997 to 2007. Boron concentrations are related to an independent marker for sewage effluent, sodium. The results show that boron concentrations in the main river channels have declined with time especially under baseflow conditions when sewage effluent dilution potential is at its lowest. While boron concentrations have reduced, especially under low-flow conditions, this does not fully translate to a corresponding reduction in boron flux and it seems that the "within-catchment" supplies of boron to the river are contaminated by urban sources. The estimated boron reduction in the effluent input to the river based on the changes in river chemistry is typically around 60% and this figure matches with an initial survey of more limited data for the industrial north of England. Data for effluent concentrations at eight sewage treatment works within the Kennet also indicate substantial reductions in boron concentrations: 80% reduction occurred between 2001 and 2008. For the more contaminated rivers there are issues of localised rather than catchment-wide sources and uncertainties over the extent and nature of water/boron stores. Atmospheric sources average around 32 to 61% for the cleaner and 4 to 14% for the more polluted parts. The substantial decreases in the boron concentrations correspond extremely well with the timing and extent of European wide trends for reductions in the industrial and domestic usage of boron-bearing compounds. It clearly indicates that such reductions have translated into lower average and peak concentrations of boron in the river although the full extent of these reductions has probably not yet occurred due to localised stores that are still to deplete.

View east northeast at Test Stand 'A' complex from road, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

View east northeast at Test Stand 'A' complex from road, showing Test Stand 'C' test tower in left background (Building 4217/E-18). Curved I-beam labeled '3-ton' is for small traveling hoist. Fuel tanks, propellant lines, and control panels have been removed from tower. - Jet Propulsion Laboratory Edwards Facility, Test Stand A, Edwards Air Force Base, Boron, Kern County, CA

Method and apparatus for detecting and/or imaging clusters of small scattering centers in the body

DOEpatents

Perez-Mendez, V.; Sommer, F.G.

1982-07-13

An ultrasonic method and apparatus are provided for detecting and imaging clusters of small scattering centers in the breast wherein periodic pulses are applied to an ultrasound emitting transducer and projected into the body, thereafter being received by at least one receiving transducer positioned to receive scattering from the scattering center clusters. The signals are processed to provide an image showing cluster extent and location. 6 figs.

Method and apparatus for detecting and/or imaging clusters of small scattering centers in the body

DOEpatents

Perez-Mendez, Victor; Sommer, Frank G.

1982-01-01

An ultrasonic method and apparatus are provided for detecting and imaging clusters of small scattering centers in the breast wherein periodic pulses are applied to an ultrasound emitting transducer and projected into the body, thereafter being received by at least one receiving transducer positioned to receive scattering from the scattering center clusters. The signals are processed to provide an image showing cluster extent and location.

Hot and solid gallium clusters: too small to melt.

PubMed

Breaux, Gary A; Benirschke, Robert C; Sugai, Toshiki; Kinnear, Brian S; Jarrold, Martin F

2003-11-21

A novel multicollision induced dissociation scheme is employed to determine the energy content for mass-selected gallium cluster ions as a function of their temperature. Measurements were performed for Ga(+)(n) (n=17 39, and 40) over a 90-720 K temperature range. For Ga+39 and Ga+40 a broad maximum in the heat capacity-a signature of a melting transition for a small cluster-occurs at around 550 K. Thus small gallium clusters melt at substantially above the 302.9 K melting point of bulk gallium, in conflict with expectations that they will remain liquid to below 150 K. No melting transition is observed for Ga+17.

An empirical model for parameters affecting energy consumption in boron removal from boron-containing wastewaters by electrocoagulation.

PubMed

Yilmaz, A Erdem; Boncukcuoğlu, Recep; Kocakerim, M Muhtar

2007-06-01

In this study, it was investigated parameters affecting energy consumption in boron removal from boron containing wastewaters prepared synthetically, via electrocoagulation method. The solution pH, initial boron concentration, dose of supporting electrolyte, current density and temperature of solution were selected as experimental parameters affecting energy consumption. The obtained experimental results showed that boron removal efficiency reached up to 99% under optimum conditions, in which solution pH was 8.0, current density 6.0 mA/cm(2), initial boron concentration 100mg/L and solution temperature 293 K. The current density was an important parameter affecting energy consumption too. High current density applied to electrocoagulation cell increased energy consumption. Increasing solution temperature caused to decrease energy consumption that high temperature decreased potential applied under constant current density. That increasing initial boron concentration and dose of supporting electrolyte caused to increase specific conductivity of solution decreased energy consumption. As a result, it was seen that energy consumption for boron removal via electrocoagulation method could be minimized at optimum conditions. An empirical model was predicted by statistically. Experimentally obtained values were fitted with values predicted from empirical model being as following; [formula in text]. Unfortunately, the conditions obtained for optimum boron removal were not the conditions obtained for minimum energy consumption. It was determined that support electrolyte must be used for increase boron removal and decrease electrical energy consumption.

SU-D-304-07: Application of Proton Boron Fusion Reaction to Radiation Therapy

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

Jung, J; Yoon, D; Shin, H

Purpose: we present the introduction of a therapy method using the proton boron fusion reaction. The purpose of this study is to verify the theoretical validity of proton boron fusion therapy using Monte Carlo simulations. Methods: After boron is accumulated in the tumor region, the emitted from outside the body proton can react with the boron in the tumor region. An increase of the proton’s maximum dose level is caused by the boron and only the tumor cell is damaged more critically. In addition, a prompt gamma ray is emitted from the proton boron reaction point. Here we show thatmore » the effectiveness of the proton boron fusion therapy (PBFT) was verified using Monte Carlo simulations. Results: We found that a dramatic increase by more than half of the proton’s maximum dose level was induced by the boron in the tumor region. This increase occurred only when the proton’s maximum dose point was located within the boron uptake region (BUR). In addition, the 719 keV prompt gamma ray peak produced by the proton boron fusion reaction was positively detected. Conclusion: This therapy method features the advantages such as the application of Bragg-peak to the therapy, the accurate targeting of tumor, improved therapy effects, and the monitoring of the therapy region during treatment.« less

Evaluation of Ground-Water and Boron Sources by Use of Boron Stable-Isotope Ratios, Tritium, and Selected Water-Chemistry Constituents near Beverly Shores, Northwestern Indiana, 2004

USGS Publications Warehouse

Buszka, Paul M.; Fitzpatrick, John A.; Watson, Lee R.; Kay, Robert T.

2007-01-01

Concentrations of boron greater than the U.S. Environmental Protection Agency (USEPA) 900 ?g/L removal action level (RAL) standard were detected in water sampled by the USEPA in 2004 from three domestic wells near Beverly Shores, Indiana. The RAL regulates only human-affected concentrations of a constituent. A lack of well logs and screened depth information precluded identification of whether water from sampled wells, and their boron sources, were from human-affected or natural sources in the surficial aquifer, or associated with a previously defined natural, confined aquifer source of boron from the subtill or basal sand aquifers. A geochemically-based classification of the source of boron in ground water could potentially determine the similarity of boron to known sources or mixtures between known sources, or classify whether the relative age of the ground water predated the potential sources of contamination. The U.S. Geological Survey (USGS), in cooperation with the USEPA, investigated the use of a geochemical method that applied boron stable isotopes, and concentrations of boron, tritium, and other constituents to distinguish between natural and human-affected sources of boron in ground water and thereby determine if the RAL was applicable to the situation. Boron stable-isotope ratios and concentrations of boron in 17 ground-water samples and tritium concentrations in 9 ground-water samples collected in 2004 were used to identify geochemical differences between potential sources of boron in ground water near Beverly Shores, Indiana. Boron and d11B analyses for this investigation were made on unacidified samples to assure consistency of the result with unacidified analyses of d11B values from other investigations. Potential sources of boron included surficial-aquifer water affected by coal-combustion products (CCP) or domestic-wastewater, upward discharge of ground water from confined aquifers, and unaffected water from the surficial aquifer that was distant from human-affected boron sources. Boron concentrations in potential ground-water sources of boron were largest (15,700 to 24,400 ?g/L) in samples of CCP-affected surficial aquifer water from four wells at a CCP landfill and smallest (27 to 63 ?g/L) in three wells in the surficial aquifer that were distant from human-affected boron sources. Boron concentrations in water from the basal sand aquifer ranged from 656 ?g/L to 1,800 ?g/L. Boron concentrations in water from three domestic-wastewater-affected surficial aquifer wells ranged from 84 to 387 ?g/L. Among the representative ground-water samples, boron concentrations from all four samples of CCP-affected surficial aquifer water and four of five samples of water from the basal sand aquifer had concentrations greater than the RAL. A comparison of boron concentrations in acid-preserved and unacidified samples indicated that boron concentrations reported for this investigation may be from about 11 to 16 percent less than would be reported in a standard analysis of an acidified sample. The stable isotope boron-11 was most enriched in comparison to boron-10 in ground water from a confined aquifer, the basal sand aquifer (d11B, 24.6 to 34.0 per mil, five samples); it was most depleted in CCP-affected water from the surficial aquifer (d11B, 0.1 to 6.6 per mil, four samples). Domestic-wastewater-affected water from the surficial aquifer (d11B, 8.7 to 11.7 per mil, four samples) was enriched in boron-11, in comparison to individual samples of a borax detergent additive and a detergent with perborate bleach; it was intermediate in composition between basal sand aquifer water and CCP-affected water from the surficial aquifer. The similarity between a ground-water sample from the surficial aquifer and a hypothetical mixture of unaffected surficial aquifer and basal sand aquifer waters indicates the potential for long-term upward discharge of ground water into the surficial aquifer from one or more confined aquifers. Est

The Effect of Boronizing on Metallic Alloys for Automotive Applications

NASA Astrophysics Data System (ADS)

Petrova, Roumiana S.; Suwattananont, Naruemon; Samardzic, Veljko

2008-06-01

In this study the wear resistance, corrosion resistance, and oxidation resistance of boronized metallic alloys were investigated. Thermochemical treatment was performed by powder pack boronizing process at temperature 850-950 °C for 4 h. Saw-tooth morphology and smooth interface microstructures were observed with an optical microscope; microhardness was measured across the coating depth. The phases present in the boron coatings depend on the substrate material. High-temperature oxidation resistance was investigated and it was found that boron coating on ferrous alloys can resist temperatures up to 800 °C. The corrosion resistance of the boronized samples was improved and the corrosion rate was calculated for boronized and plain specimens. Wear testing was conducted by following the procedures of ASTM G99, ASTM D2526, and ASTM D4060. The obtained experimental results revealed that boronizing significantly improves the wear-resistance, corrosion-resistance, and oxidation resistance of metallic alloys.

Boron and oxygen-codoped porous carbon as efficient oxygen reduction catalysts

NASA Astrophysics Data System (ADS)

Lei, Zhidan; Chen, Hongbiao; Yang, Mei; Yang, Duanguang; Li, Huaming

2017-12-01

A low-cost boron- and oxygen-codoped porous carbon electrocatalyst towards oxygen reduction reaction (ORR) has been fabricated by a facile one-step pyrolysis approach, while a boron- and oxygen-rich polymer network was used as precursor. The boron- and oxygen-codoped carbon catalyst with high ORR electrocatalytic activity is comparable to that of Pt/C and is superior to that of catalysts doped solely with boron atoms or with oxygen atoms. Furthermore, the optimized boron- and oxygen-codoped carbon catalyst possesses excellent methanol tolerance and long-term durability in alkaline media. The high electrocatalytic activity of the dual-doped carbon catalysts can be attributed to the synergistic effects of high surface area, predominant mesostructure, abundant active oxygen-containing groups, and effective boron doping. The present results show that this boron- and oxygen-codoping strategy could be as a promising way for the preparation of highly efficient ORR catalysts.

Wafer-Scale and Wrinkle-Free Epitaxial Growth of Single-Orientated Multilayer Hexagonal Boron Nitride on Sapphire.

PubMed

Jang, A-Rang; Hong, Seokmo; Hyun, Chohee; Yoon, Seong In; Kim, Gwangwoo; Jeong, Hu Young; Shin, Tae Joo; Park, Sung O; Wong, Kester; Kwak, Sang Kyu; Park, Noejung; Yu, Kwangnam; Choi, Eunjip; Mishchenko, Artem; Withers, Freddie; Novoselov, Kostya S; Lim, Hyunseob; Shin, Hyeon Suk

2016-05-11

Large-scale growth of high-quality hexagonal boron nitride has been a challenge in two-dimensional-material-based electronics. Herein, we present wafer-scale and wrinkle-free epitaxial growth of multilayer hexagonal boron nitride on a sapphire substrate by using high-temperature and low-pressure chemical vapor deposition. Microscopic and spectroscopic investigations and theoretical calculations reveal that synthesized hexagonal boron nitride has a single rotational orientation with AA' stacking order. A facile method for transferring hexagonal boron nitride onto other target substrates was developed, which provides the opportunity for using hexagonal boron nitride as a substrate in practical electronic circuits. A graphene field effect transistor fabricated on our hexagonal boron nitride sheets shows clear quantum oscillation and highly improved carrier mobility because the ultraflatness of the hexagonal boron nitride surface can reduce the substrate-induced degradation of the carrier mobility of two-dimensional materials.

Toward deep blue nano hope diamonds: heavily boron-doped diamond nanoparticles.

PubMed

Heyer, Steffen; Janssen, Wiebke; Turner, Stuart; Lu, Ying-Gang; Yeap, Weng Siang; Verbeeck, Jo; Haenen, Ken; Krueger, Anke

2014-06-24

The production of boron-doped diamond nanoparticles enables the application of this material for a broad range of fields, such as electrochemistry, thermal management, and fundamental superconductivity research. Here we present the production of highly boron-doped diamond nanoparticles using boron-doped CVD diamond films as a starting material. In a multistep milling process followed by purification and surface oxidation we obtained diamond nanoparticles of 10-60 nm with a boron content of approximately 2.3 × 10(21) cm(-3). Aberration-corrected HRTEM reveals the presence of defects within individual diamond grains, as well as a very thin nondiamond carbon layer at the particle surface. The boron K-edge electron energy-loss near-edge fine structure demonstrates that the B atoms are tetrahedrally embedded into the diamond lattice. The boron-doped diamond nanoparticles have been used to nucleate growth of a boron-doped diamond film by CVD that does not contain an insulating seeding layer.

Stability of boron-doped graphene/copper interface: DFT, XPS and OSEE studies

NASA Astrophysics Data System (ADS)

Boukhvalov, D. W.; Zhidkov, I. S.; Kukharenko, A. I.; Slesarev, A. I.; Zatsepin, A. F.; Cholakh, S. O.; Kurmaev, E. Z.

2018-05-01

Two different types of boron-doped graphene/copper interfaces synthesized using two different flow rates of Ar through the bubbler containing the boron source were studied. X-ray photoelectron spectra (XPS) and optically stimulated electron emission (OSEE) measurements have demonstrated that boron-doped graphene coating provides a high corrosion resistivity of Cu-substrate with the light traces of the oxidation of carbon cover. The density functional theory calculations suggest that for the case of substitutional (graphitic) boron-defect only the oxidation near boron impurity is energetically favorable and creation of the vacancies that can induce the oxidation of copper substrate is energetically unfavorable. In the case of non-graphitic boron defects oxidation of the area, a nearby impurity is metastable that not only prevent oxidation but makes boron-doped graphene. Modeling of oxygen reduction reaction demonstrates high catalytic performance of these materials.

Climate and CO2 coupling in the early Cenozoic Greenhouse

NASA Astrophysics Data System (ADS)

Rae, J. W. B.; Greenop, R.; Kaminski, M.; Sexton, P. F.; Foster, G. L.; Greene, S. E.; Littley, E.; Kirtland Turner, S.; Ridgwell, A.

2017-12-01

The early Cenozoic is a time of climatic extremes: hyperthermals pepper the transition from extreme global warmth to the start of Cenozoic cooling, with these evolving climate regimes accompanied by major changes in ocean chemistry and biota. The exogenic carbon cycle, and ocean-atmospheric CO2 in particular, is thought to have played a key role in these climatic changes, but the carbon chemistry of the early Cenozoic ocean remains poorly constrained. Here we present new boron isotope data from benthic foraminifera, which can be used to constrain relative changes in ocean pH. These are coupled with modelling experiments performed with the cGenie Earth system model to provide new constraints on the carbon cycle and carbonate system of the early Cenozoic. While our benthic boron isotope data do not readily provide a record of surface ocean CO2 , they do place constraints on the whole ocean-atmosphere carbonate system, alongside changes in ocean circulation and biogeochemistry, and also have relatively robust calcite tests and small `vital effects'. During the late Paleocene ascent to peak greenhouse conditions and the middle Eocene descent towards the icehouse, our boron isotope data show close coupling with benthic δ18O, demonstrating a clear link between CO2 and climate. However within the early Eocene our boron isotope data reveal more dynamic changes in deep ocean pH, which may be linked to changes in ocean circulation. Overall, our data demonstrate the ability of CO2 to regulate the climate system across varying boundary conditions, and the influence of both the long-term carbon cycle and shorter-term ocean biogeochemical cycling on Earth's climate.

Earth Observation taken during the Expedition 37 mission

NASA Image and Video Library

2013-10-30

ISS037-E-022990 (30 Oct. 2013) --- This detailed image, photographed by an Expedition 37 crew member on the International Space Station, features the former US Borax mine located to the northwest of Boron, California. The mine, currently owned by the Rio Tinto Group, is the largest open-pit mine in California (covering approximately 54 square kilometers) and is among the largest borate mines in the world. Borates, chemical compounds that include the element boron (B), are important both as providers of an essential plant micronutrient, for metallurgical applications, and as components of specialized types of glass, anticorrosive coatings, fire retardants, and detergents (among other uses). Borate minerals such as borax, kernite, and ulexite are found in deposits at the Rio Tinto borax mine. The geologic setting is a structural, nonmarine basin ? a permanent shallow lake ? fed by thermal springs rich in sodium and boron that existed approximately 16 million years ago, according to scientists. The first mining claim in the area was filed in 1913, following discovery of boron-bearing nodules during well drilling. Much of the mine workings were underground until 1957, when US Borax changed to open-pit mining. The open pit is clearly visible at center; concentric benches along the pit wall are accentuated by shadows and mark successive levels of material extraction. Mine tailings are visible as stacked terraces along the northern boundary of the mine. Ore processing facilities occupy a relatively small percentage of the mine area, and are located directly to the west of the open pit. The Rio Tinto mine is one of the Earth?s richest borate deposits; together with mines in Argentina, they produce almost 40 percent of the world?s supply of industrial borate minerals.

Boron-coated straws as a replacement for 3He-based neutron detectors

NASA Astrophysics Data System (ADS)

Lacy, Jeffrey L.; Athanasiades, Athanasios; Sun, Liang; Martin, Christopher S.; Lyons, Tom D.; Foss, Michael A.; Haygood, Hal B.

2011-10-01

US and international government efforts to equip major seaports with large area neutron detectors, aimed to intercept the smuggling of nuclear materials, have precipitated a critical shortage of 3He gas. It is estimated that the annual demand of 3He for US security applications alone is more than the worldwide supply. This is strongly limiting the prospects of neutron science, safeguards, and other applications that rely heavily on 3He-based detectors. Clearly, alternate neutron detection technologies that can support large sensitive areas, and have low gamma sensitivity and low cost must be developed. We propose a low-cost technology based on long copper tubes (straws), coated on the inside with a thin layer of 10B-enriched boron carbide ( 10B 4C). In addition to the high abundance of boron on Earth and low cost of 10B enrichment, the boron-coated straw (BCS) detector offers distinct advantages over conventional 3He-based detectors, and alternate technologies such as 10BF 3 tubes and 10B-coated rigid tubes. These include better distribution inside moderator assemblies, many-times faster electronic signals, no pressurization, improved gamma-ray rejection, no toxic or flammable gases, and ease of serviceability. We present the performance of BCS detectors dispersed in a solid plastic moderator to address the need for portal monitoring. The design adopts the outer dimensions of currently deployed 3He-based monitors, but takes advantage of the small BCS diameter to achieve a more uniform distribution of neutron converter throughout the moderating material. We show that approximately 63 BCS detectors, each 205 cm long, distributed inside the moderator, can match or exceed the detection efficiency of typical monitors fitted with a 5 cm diameter 3He tube, 187 cm long, pressurized to 3 atm.

Designing Superhard Materials by Incorporating Boron Into Heavy Transition Metals

NASA Astrophysics Data System (ADS)

Liang, Yongcheng; Li, Anhu; Zhao, Jianzhi; Zhang, Wenqing

First-principles calculations on the incompressibility, elasticity and hardness of the Os, OsB2, Re, and ReB2 materials have systematically been performed by the plane-wave basis pseudopotential method. Transition metals Os and Re, which have high bulk modulus but low hardness, can be converted into hard materials by combining them with small B atoms. Moreover, electronic and structural mechanisms of ReB2 and OsB2 are analyzed in detail and compared. It is shown that incorporating small B atoms into heavy transition metals should be a valid pathway to obtain new superhard materials.

Characterization of boron carbide with an electron microprobe

NASA Technical Reports Server (NTRS)

Matteudi, G.; Ruste, J.

1983-01-01

Within the framework of a study of heterogeneous materials (Matteudi et al., 1971: Matteudi and Verchery, 1972) thin deposits of boron carbide were characterized. Experiments using an electronic probe microanalyzer to analyze solid boron carbide or boron carbide in the form of thick deposits are described. Quantitative results on boron and carbon are very close to those obtained when applying the Monte Carlo-type correction calculations.

Chemical disposition of boron in animals and humans.

PubMed Central

Moseman, R F

1994-01-01

Elemental boron was isolated in 1808. It typically occurs in nature as borates hydrated with varying amounts of water. Important compounds are boric acid and borax. Boron compounds are also used in the production of metals, enamels, and glasses. In trace amounts, boron is essential for the growth of many plants, and is found in animal and human tissues at low concentrations. Poisoning in humans has been reported as the result of accidental ingestion or use of large amounts in the treatment of burns. Boron as boric acid is fairly rapidly absorbed and excreted from the body via urine. The half-life of boric acid in humans is on the order of 1 day. Boron does not appear to accumulate in soft tissues of animals, but does accumulate in bone. Normal levels of boron in soft tissues, urine, and blood generally range from less than 0.05 ppm to no more than 10 ppm. In poisoning incidents, the amount of boric acid in brain and liver tissue has been reported to be as high as 2000 ppm. Recent studies at the National Institute of Environmental Health Sciences have indicated that boron may contribute to reduced fertility in male rodents fed 9000 ppm of boric acid in feed. Within a few days, boron levels in blood and most soft tissues quickly reached a plateau of about 15 ppm. Boron in bone did not appear to plateau, reaching 47 ppm after 7 days on the diet. Cessation of exposure to dietary boron resulted in a rapid drop in bone boron.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7889870

Geant4 beam model for boron neutron capture therapy: investigation of neutron dose components.

PubMed

Moghaddasi, Leyla; Bezak, Eva

2018-03-01

Boron neutron capture therapy (BNCT) is a biochemically-targeted type of radiotherapy, selectively delivering localized dose to tumour cells diffused in normal tissue, while minimizing normal tissue toxicity. BNCT is based on thermal neutron capture by stable [Formula: see text]B nuclei resulting in emission of short-ranged alpha particles and recoil [Formula: see text]Li nuclei. The purpose of the current work was to develop and validate a Monte Carlo BNCT beam model and to investigate contribution of individual dose components resulting of neutron interactions. A neutron beam model was developed in Geant4 and validated against published data. The neutron beam spectrum, obtained from literature for a cyclotron-produced beam, was irradiated to a water phantom with boron concentrations of 100 μg/g. The calculated percentage depth dose curves (PDDs) in the phantom were compared with published data to validate the beam model in terms of total and boron depth dose deposition. Subsequently, two sensitivity studies were conducted to quantify the impact of: (1) neutron beam spectrum, and (2) various boron concentrations on the boron dose component. Good agreement was achieved between the calculated and measured neutron beam PDDs (within 1%). The resulting boron depth dose deposition was also in agreement with measured data. The sensitivity study of several boron concentrations showed that the calculated boron dose gradually converged beyond 100 μg/g boron concentration. This results suggest that 100μg/g tumour boron concentration may be optimal and above this value limited increase in boron dose is expected for a given neutron flux.

Dietary Boron and Hormone Replacement Therapy as Risk Factors for Lung Cancer in Women

PubMed Central

Mahabir, S.; Spitz, M. R.; Barrera, S. L.; Dong, Y. Q.; Eastham, C.; Forman, M. R.

2012-01-01

Hormone replacement therapy (HRT) may reduce lung cancer risk. Dietary boron may have actions similar to those of HRT; however, no previous study has reported the associations between dietary boron intake and lung cancer risk or the joint effects of boron intake and HRT use on lung cancer risk. The authors examined the associations between boron intake and the joint effects of boron intake and HRT on lung cancer risk in women. In an ongoing case-control study in Houston, Texas (July 1995 through April 2005, end date for this analysis), 763 women were diagnosed with lung cancer, and 838 were matched healthy controls with data on both diet and HRT. Multiple logistic regression analyses were conducted to assess the associations between dietary boron and HRT with lung cancer risk. After adjustment for potential confounders, the odds ratios for lung cancer with decreasing quartiles of dietary boron intake were 1.0, 1.39 (95% confidence interval (CI): 1.02, 1.90), 1.64 (95% CI: 1.20, 2.24), and 1.95 (95% CI: 1.42, 2.68) mg/day, respectively, for all women (ptrend < 0.0001). In joint-effects analyses, compared with women with high dietary boron intake who used HRT, the odds ratio for lung cancer for low dietary boron intake and no HRT use was 2.07 (95% CI: 1.53, 2.81). Boron intake was inversely associated with lung cancer in women, whereas women who consumed low boron and did not use HRT were at substantial increased odds. PMID:18343880

Boron

USDA-ARS?s Scientific Manuscript database

Boron is an essential micronutrient element required for plant growth. Boron deficiency is wide-spread in crop plants throughout the world especially in coarse-textured soils in humid areas. Boron toxicity can also occur, especially in arid regions under irrigation. Plants respond directly to the...

Ignition kinetics of boron in primary combustion products of propellant based on its unique characteristics

NASA Astrophysics Data System (ADS)

Ao, Wen; Wang, Yang; Wu, Shixi

2017-07-01

Study on the boron-based primary combustion products can bridge the gap between primary combustion and secondary combustion in solid rocket ramjets. To clarify the initial state and ignition characteristics of boron particles in the after-burning chamber of solid rocket ramjets, the elemental, composition and morphology of the primary combustion products collected under gas generator chamber pressure of 0.2 MPa and 6 MPa were investigated by energy dispersive (EDS), X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy with energy dispersive (SEM-EDS) individually. The ignition times of boron particles among the primary combustion products were determined using a high temperature tube furnace system. The BD model was adopted for numerical verification. The numerical solution procedure of boron ignition model in a real afterburner chamber was modified. The results show that the sum of B, C, O elements in the primary combustion products reaches approximately 90%. The primary combustion products are mainly consisted of B, C, and B2O3. Images of the primary combustion products present highly agglomeration, indicating an oxidation of boron surface. Numerous spherical carbon particles with a diameter around 100 nm are observed in the products. Three features of the boron in the primary combustion products are obtained, compared to virgin boron. First most of the boron lumps are covered by carbon particles on the surface. Second the mean particle size is five times larger than that of virgin boron. Third the overall initial oxide layer covered on boron surface increases its thickness by above 0.1 μm. The ignition time of boron in the primary combustion products reaches 20-30 ms under 1673-1873 K, which is quite different from virgin boron of 4 ms. Numerical calculation results show the key reason leading to such a long ignition time is the variation of the initial oxide layer thickness. In conclusion, the physicochemical properties of boron particles are found to differ with virgin boron after primary combustion process. The accurate evaluation of the initial oxide layer thickness and initial particle radius is a crucial procedure before the numerical calculation of boron ignition kinetics. Results of our study are expected to provide better insight in the simulation of solid rocket ramjets working process.

Carbon nanowalls: a new versatile graphene based interface for the laser desorption/ionization-mass spectrometry detection of small compounds in real samples.

PubMed

Hosu, I S; Sobaszek, M; Ficek, M; Bogdanowicz, R; Drobecq, H; Boussekey, L; Barras, A; Melnyk, O; Boukherroub, R; Coffinier, Y

2017-07-13

Carbon nanowalls, vertically aligned graphene nanosheets, attract attention owing to their tunable band gap, high conductivity, high mechanical robustness, high optical absorbance and other remarkable properties. In this paper, we report for the first time the use of hydrophobic boron-doped carbon nanowalls (CNWs) for laser desorption/ionization of small compounds and their subsequent detection by mass spectrometry (LDI-MS). The proposed method offers sensitive detection of various small molecules in the absence of an organic matrix. The CNWs were grown by microwave plasma enhanced chemical vapor deposition (MW-PECVD), using a boron-carbon gas flow ratio of 1200 in H 2 /CH 4 plasma, on silicon <100> wafer. The hydrophobicity of the surface offers a straightforward MS sample deposition, consisting of drop casting solutions of analytes and drying in air. Limits of detection in the picomolar and femtomolar ranges (25 fmol μL -1 for neurotensin) were achieved for different types of compounds (fatty acids, lipids, metabolites, saccharides and peptides) having clinical or food industry applications. This rapid and sensitive procedure can also be used for quantitative measurements without internal standards with RSDs <19%, as in the case of glucose in aqueous solutions (LOD = 0.32 ± 0.02 pmol), blood serum or soft drinks. Moreover, melamine (63 ± 8.19 ng μL -1 ), a toxic compound, together with creatinine and paracetamol, was detected in urine samples, while lecithin was detected in food supplements.

Magnetron sputtered boron films and TI/B multilayer structures

DOEpatents

Makowiecki, Daniel M.; Jankowski, Alan F.

1993-01-01

A method is described for the production of thin boron and titanium/boron films by magnetron sputter deposition. The amorphous boron films contain no morphological growth features, unlike those found when thin films are prepared by various physical vapor deposition processes. Magnetron sputter deposition method requires the use of a high density crystalline boron sputter target which is prepared by hot isostatic pressing. Thin boron films prepared by this method are useful for ultra-thin band pass filters as well as the low Z element in low Z/high Z mirrors which enhance reflectivity from grazing to normal incidence.

Magnetron sputtered boron films and Ti/B multilayer structures

DOEpatents

Makowiecki, Daniel M.; Jankowski, Alan F.

1995-01-01

A method is described for the production of thin boron and titanium/boron films by magnetron sputter deposition. The amorphous boron films contain no morphological growth features, unlike those found when thin films are prepared by various physical vapor deposition processes. Magnetron sputter deposition method requires the use of a high density crystalline boron sputter target which is prepared by hot isostatic pressing. Thin boron films prepared by this method are useful for ultra-thin band pass filters as well as the low Z element in low Z/high Z mirrors which enhance reflectivity from grazing to normal incidence.

Magnetron sputtered boron films and TI/B multilayer structures

DOEpatents

Makowiecki, D.M.; Jankowski, A.F.

1993-04-20

A method is described for the production of thin boron and titanium/boron films by magnetron sputter deposition. The amorphous boron films contain no morphological growth features, unlike those found when thin films are prepared by various physical vapor deposition processes. Magnetron sputter deposition method requires the use of a high density crystalline boron sputter target which is prepared by hot isostatic pressing. Thin boron films prepared by this method are useful for ultra-thin band pass filters as well as the low Z element in low Z/high Z mirrors which enhance reflectivity from grazing to normal incidence.

Magnetron sputtered boron films and Ti/B multilayer structures

DOEpatents

Makowiecki, D.M.; Jankowski, A.F.

1995-02-14

A method is described for the production of thin boron and titanium/boron films by magnetron sputter deposition. The amorphous boron films contain no morphological growth features, unlike those found when thin films are prepared by various physical vapor deposition processes. Magnetron sputter deposition method requires the use of a high density crystalline boron sputter target which is prepared by hot isostatic pressing. Thin boron films prepared by this method are useful for ultra-thin band pass filters as well as the low Z element in low Z/high Z mirrors which enhance reflectivity from grazing to normal incidence. 6 figs.

Study of the effects of focused high-energy boron ion implantation in diamond

NASA Astrophysics Data System (ADS)

Ynsa, M. D.; Agulló-Rueda, F.; Gordillo, N.; Maira, A.; Moreno-Cerrada, D.; Ramos, M. A.

2017-08-01

Boron-doped diamond is a material with a great technological and industrial interest because of its exceptional chemical, physical and structural properties. At modest boron concentrations, insulating diamond becomes a p-type semiconductor and at higher concentrations a superconducting metal at low temperature. The most conventional preparation method used so far, has been the homogeneous incorporation of boron doping during the diamond synthesis carried out either with high-pressure sintering of crystals or by chemical vapour deposition (CVD) of films. With these methods, high boron concentration can be included without distorting significantly the diamond crystalline lattice. However, it is complicated to manufacture boron-doped microstructures. A promising alternative to produce such microstructures could be the implantation of focused high-energy boron ions, although boron fluences are limited by the damage produced in diamond. In this work, the effect of focused high-energy boron ion implantation in single crystals of diamond is studied under different irradiation fluences and conditions. Micro-Raman spectra of the sample were measured before and after annealing at 1000 °C as a function of irradiation fluence, for both superficial and buried boron implantation, to assess the changes in the diamond lattice by the creation of vacancies and defects and their degree of recovery after annealing.

Application of proton boron fusion reaction to radiation therapy: A Monte Carlo simulation study

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

Yoon, Do-Kun; Jung, Joo-Young; Suh, Tae Suk, E-mail: suhsanta@catholic.ac.kr

2014-12-01

Three alpha particles are emitted from the point of reaction between a proton and boron. The alpha particles are effective in inducing the death of a tumor cell. After boron is accumulated in the tumor region, the emitted from outside the body proton can react with the boron in the tumor region. An increase of the proton's maximum dose level is caused by the boron and only the tumor cell is damaged more critically. In addition, a prompt gamma ray is emitted from the proton boron reaction point. Here, we show that the effectiveness of the proton boron fusion therapymore » was verified using Monte Carlo simulations. We found that a dramatic increase by more than half of the proton's maximum dose level was induced by the boron in the tumor region. This increase occurred only when the proton's maximum dose point was located within the boron uptake region. In addition, the 719 keV prompt gamma ray peak produced by the proton boron fusion reaction was positively detected. This therapy method features the advantages such as the application of Bragg-peak to the therapy, the accurate targeting of tumor, improved therapy effects, and the monitoring of the therapy region during treatment.« less

Magic Numbers in Small Iron Clusters: A First-Principles Study

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

Kim, Eunja; Mohrland, Andrew B.; Weck, Philippe F.

2014-10-03

We perform ab initio spin-polarized density functional calculations of Fen aggregates with n ≤ 17 atoms to reveal the origin of the observed magic numbers, which indicate particularly high stability of clusters with 7, 13 and 15 atoms. Our results clarify the controversy regarding the ground state geometry of clusters such as Fe5and indicate that magnetism plays an important role in determining the stability and magic numbers in small iron clusters.

Chemical and structural characterization of boron carbide powders and ceramics

NASA Astrophysics Data System (ADS)

Kuwelkar, Kanak Anant

Boron carbide is the material of choice for lightweight armor applications due to its extreme hardness, high Young's modulus and low specific weight. The homogeneity range in boron carbide extends from 9 to 20 at% carbon with the solubility limits not uniquely defined in literature. Over the homogeneity range, the exact lattice positions of boron and carbon atoms have not been unambiguously established, and this topic has been the consideration of significant debate over the last 60 years. The atomic configuration and positions of the boron and carbon atoms play a key role in the crystal structure of the boron carbide phases. Depending on the atomic structure, boron carbide exhibits different mechanical properties which may alter its ballistic performance under extreme dynamic conditions. This work focusses on refinement and development of analytical and chemical methods for an accurate determination of the boron carbide stoichiometry. These methods were then utilized to link structural changes of boron carbide across the solubility range to variations in mechanical properties. After an extensive assessment of the currently employed characterization techniques, it was discerned that the largest source of uncertainty in the determination of the boron carbide stoichiometry was found to arise from the method utilized to evaluate the free carbon concentration. To this end, a modified spiking technique was introduced for free carbon determination where curve fitting techniques were employed to model the asymmetry of the 002 free carbon diffraction peak based on the amorphous, disordered and graphitic nature of carbon. A relationship was then established between the relative intensities of the carbon and boron carbide peaks to the percentage of added carbon and the free-carbon content was obtained by extrapolation. Samples with varying chemistry and high purity were synthesized across the solubility range by hot pressing mixtures of amorphous boron and boron carbide. Vibrational mode frequencies and lattice parameter measurements from Rietveld refinement were correlated to the respective B:C ratios calculated using the developed characterization techniques. An expansion of the unit cell and change in slope in the lattice parameter-stoichiometry relationship were observed at more boron rich stoichiometries. These observations were justified through the proposal of a simplified structural model considering preferential substitution of boron atoms for carbon atoms in the icosahedra from 20 at% to 13.3 at% carbon, followed by formation of B-B bonds from 13.3 at % C to 9 at% C. Hardness measurements uncovered decreased hardness values in boron rich boron carbide which was attributed to the formation of weaker unit cells. Load induced amorphization was also detected in all the indented materials. Finally, experimental observations have shown that failure in boron carbide may be governed by a mechanism other than amorphization and synthesizing boron carbide with a modified microstructure at stoichiometries close to B4C may be the way forward to attain improved ballistic performance.

Chemical and mechanical analysis of boron-rich boron carbide processed via spark plasma sintering

NASA Astrophysics Data System (ADS)

Munhollon, Tyler Lee

Boron carbide is a material of choice for many industrial and specialty applications due to the exceptional properties it exhibits such as high hardness, chemical inertness, low specific gravity, high neutron cross section and more. The combination of high hardness and low specific gravity makes it especially attractive for high pressure/high strain rate applications. However, boron carbide exhibits anomalous behavior when high pressures are applied. Impact pressures over the Hugoniot elastic limit result in catastrophic failure of the material. This failure has been linked to amorphization in cleavage planes and loss of shear strength. Atomistic modeling has suggested boron-rich boron carbide (B13C2) may be a better performing material than the commonly used B4C due to the elimination of amorphization and an increase in shear strength. Therefore, a clear experimental understanding of the factors that lead to the degradation of mechanical properties as well as the effects of chemistry changes in boron carbide is needed. For this reason, the goal of this thesis was to produce high purity boron carbide with varying stoichiometries for chemical and mechanical property characterization. Utilizing rapid carbothermal reduction and pressure assisted sintering, dense boron carbides with varying stoichiometries were produced. Microstructural characteristics such as impurity inclusions, porosity and grain size were controlled. The chemistry and common static mechanical properties that are of importance to superhard materials including elastic moduli, hardness and fracture toughness of the resulting boron-rich boron carbides were characterized. A series of six boron carbide samples were processed with varying amounts of amorphous boron (up to 45 wt. % amorphous boron). Samples with greater than 40 wt.% boron additions were shown to exhibit abnormal sintering behavior, making it difficult to characterize these samples. Near theoretical densities were achieved in samples with less than 40 wt. % amorphous boron additions. X-ray diffraction analysis revealed the samples to be phase pure and boron-rich. Carbon content was determined to be at or near expected values with exception of samples with greater than 40 wt. % amorphous boron additions. Raman microspectroscopy further confirmed the changes in chemistry as well as revealed the chemical homogeneity of the samples. Microstructural analysis carried out using both optical and electron imaging showed clean and consistent microstructures. The changes in the chemistry of the boron carbide samples has been shown to significantly affect the static mechanical properties. Ultrasonic wave speed measurements were used to calculate the elastic moduli which showed a clear decrease in the Young's and shear moduli with a slight increase in bulk modulus. Berkovich nano-indentation revealed a similar trend, as the hardness and fracture toughness of the material decreased with decreasing carbon content. Amorphization within 1 kg Knoop indents was shown to diminish in intensity and extent as carbon content decreased, signifying a mechanism for amorphization mitigation.

On the Clustering of Europa's Small Craters

NASA Technical Reports Server (NTRS)

Bierhaus, E. B.; Chapman, C. R.; Merline, W. J.

2001-01-01

We analyze the spatial distribution of Europa's small craters and find that many are too tightly clustered to result from random, primary impacts. Additional information is contained in the original extended abstract.

Boron exposure assessment using drinking water and urine in the North of Chile.

PubMed

Cortes, S; Reynaga-Delgado, E; Sancha, A M; Ferreccio, C

2011-12-01

Boron is an essential trace element for plants and humans however it is still an open question what levels of boron are actually safe for humans. This study, conducted between 2006 and 2010, measured exposure levels of boron in drinking water and urine of volunteers in Arica, an area in the North of Chile with high levels of naturally occurring boron. Samples were taken of tap and bottled water (173 and 22, respectively), as well as urine from 22 volunteers, and subsequently analyzed by inductively coupled plasma spectroscopy (ICP-OES). Boron varied in public tap water from 0.22 to 11.3mgL(-1), with a median value of 2.9mgL(-1), while concentrations of boron in bottled water varied from 0.01 to 12.2mgL(-1). Neither tap nor bottled water samples had concentrations of boron within WHO recommended limits. The concentration of boron in urine varied between 0.45 and 17.4mgL(-1), with a median of 4.28mgL(-1) and was found to be correlated with tap water sampled from the homes of the volunteers (r=0.64). Authors highly recommend that in northern Chile - where levels of boron are naturally high - that the tap and bottled water supplies be monitored in order to protect public health and that regulatory standards also be established for boron in drinking water in order to limit exposure. Copyright © 2011 Elsevier B.V. All rights reserved.

The Importance of Slag Structure to Boron Removal from Silicon during the Refining Process: Insights from Raman and Nuclear Magnetic Resonance Spectroscopy Study

NASA Astrophysics Data System (ADS)

Qian, Guoyu; Wang, Zhi; Gong, Xuzhong; Sun, Liyuan

2017-12-01

Slag structure plays an important role in determining the relative ease of boron removal from silicon. Correlation between slag structure and boron removal thermodynamics was experimentally studied by Raman and nuclear magnetic resonance (NMR) spectroscopy using CaO-SiO2-Na2O slags with different optical basicities (0.6 to 0.71). Optimization of slag depolymerization leads to efficient removal of boron. The extent of nonbridged oxygen content (NBO/T) and boron removal gradually increased with an increase in optical basicity from 0.6 to 0.66: B2O3 derived from boron oxidation captured nonbridging oxygens of Q 0(Si), Q 1(Si), and Q 2(Si), and was incorporated into the silicate network in the form of Q 3(Si and B). When optical basicity increased to 0.71, NBO/T rapidly increased and boron removal decreased considerably. Quick depolymerization of Q 3(Si and B) deteriorated the stability of boron. Various structural forms of boron in the silicate network were successfully detected: the BO3 trihedrons [3]B-3Si, [3]B-2Si-1NBO, and BO3 (nonring), and the BO4 tetrahedrons BO4 (1B, 3Si) and BO4 (0B, 4Si). BO4 (1B, 3Si) was the main structure contributing to the increase of boron capacity; BO3 (nonring), detected under higher optical basicity conditions, may cause deterioration of boron removal by suppressing its oxidation.

Recent progress in boron nanomaterials

PubMed Central

Kondo, Takahiro

2017-01-01

Abstract Various types of zero, one, and two-dimensional boron nanomaterials such as nanoclusters, nanowires, nanotubes, nanobelts, nanoribbons, nanosheets, and monolayer crystalline sheets named borophene have been experimentally synthesized and identified in the last 20 years. Owing to their low dimensionality, boron nanomaterials have different bonding configurations from those of three-dimensional bulk boron crystals composed of icosahedra or icosahedral fragments. The resulting intriguing physical and chemical properties of boron nanomaterials are fascinating from the viewpoint of material science. Moreover, the wide variety of boron nanomaterials themselves could be the building blocks for combining with other existing nanomaterials, molecules, atoms, and/or ions to design and create materials with new functionalities and properties. Here, the progress of the boron nanomaterials is reviewed and perspectives and future directions are described. PMID:29152014

Ceramic silicon-boron-carbon fibers from organic silicon-boron-polymers

NASA Technical Reports Server (NTRS)

Riccitiello, Salvatore R. (Inventor); Hsu, Ming-Ta S. (Inventor); Chen, Timothy S. (Inventor)

1993-01-01

Novel high strength ceramic fibers derived from boron, silicon, and carbon organic precursor polymers are discussed. The ceramic fibers are thermally stable up to and beyond 1200 C in air. The method of preparation of the boron-silicon-carbon fibers from a low oxygen content organosilicon boron precursor polymer of the general formula Si(R2)BR(sup 1) includes melt-spinning, crosslinking, and pyrolysis. Specifically, the crosslinked (or cured) precursor organic polymer fibers do not melt or deform during pyrolysis to form the silicon-boron-carbon ceramic fiber. These novel silicon-boron-carbon ceramic fibers are useful in high temperature applications because they retain tensile and other properties up to 1200 C, from 1200 to 1300 C, and in some cases higher than 1300 C.

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

Ben-Naim, Eli; Krapivsky, Paul

Here we generalize the ordinary aggregation process to allow for choice. In ordinary aggregation, two random clusters merge and form a larger aggregate. In our implementation of choice, a target cluster and two candidate clusters are randomly selected and the target cluster merges with the larger of the two candidate clusters.We study the long-time asymptotic behavior and find that as in ordinary aggregation, the size density adheres to the standard scaling form. However, aggregation with choice exhibits a number of different features. First, the density of the smallest clusters exhibits anomalous scaling. Second, both the small-size and the large-size tailsmore » of the density are overpopulated, at the expense of the density of moderate-size clusters. Finally, we also study the complementary case where the smaller candidate cluster participates in the aggregation process and find an abundance of moderate clusters at the expense of small and large clusters. Additionally, we investigate aggregation processes with choice among multiple candidate clusters and a symmetric implementation where the choice is between two pairs of clusters.« less

Transcriptomic analysis of boron hyperaccumulation mechanisms in Puccinellia distans.

PubMed

Öztürk, Saniye Elvan; Göktay, Mehmet; Has, Canan; Babaoğlu, Mehmet; Allmer, Jens; Doğanlar, Sami; Frary, Anne

2018-05-01

Puccinellia distans, common alkali grass, is found throughout the world and can survive in soils with boron concentrations that are lethal for other plant species. Indeed, P. distans accumulates very high levels of this element. Despite these interesting features, very little research has been performed to elucidate the boron tolerance mechanism in this species. In this study, P. distans samples were treated for three weeks with normal (0.5 mg L -1 ) and elevated (500 mg L -1 ) boron levels in hydroponic solution. Expressed sequence tags (ESTs) derived from shoot tissue were analyzed by RNA sequencing to identify genes up and down-regulated under boron stress. In this way, 3312 differentially expressed transcripts were detected, 67.7% of which were up-regulated and 32.3% of which were down-regulated in boron-treated plants. To partially confirm the RNA sequencing results, 32 randomly selected transcripts were analyzed for their expression levels in boron-treated plants. The results agreed with the expected direction of change (up or down-regulation). A total of 1652 transcripts had homologs in A. thaliana and/or O. sativa and mapped to 1107 different proteins. Functional annotation of these proteins indicated that the boron tolerance and hyperaccumulation mechanisms of P. distans involve many transcriptomic changes including: alterations in the malate pathway, changes in cell wall components that may allow sequestration of excess boron without toxic effects, and increased expression of at least one putative boron transporter and two putative aquaporins. Elucidation of the boron accumulation mechanism is important in developing approaches for bioremediation of boron contaminated soils. Copyright © 2018 Elsevier Ltd. All rights reserved.

OsNIP3;1, a rice boric acid channel, regulates boron distribution and is essential for growth under boron-deficient conditions.

PubMed

Hanaoka, Hideki; Uraguchi, Shimpei; Takano, Junpei; Tanaka, Mayuki; Fujiwara, Toru

2014-06-01

Boron is an essential micronutrient for higher plants. Boron deficiency is an important agricultural issue because it results in loss of yield quality and/or quantity in cereals and other crops. To understand boron transport mechanisms in cereals, we characterized OsNIP3;1, a member of the major intrinsic protein family in rice (Oryza sativa L.), because OsNIP3;1 is the most similar rice gene to the Arabidopsis thaliana boric acid channel genes AtNIP5;1 and AtNIP6;1. Yeast cells expressing OsNIP3;1 imported more boric acid than control cells. GFP-tagged OsNIP3;1 expressed in tobacco BY2 cells was localized to the plasma membrane. The accumulation of OsNIP3;1 transcript increased fivefold in roots within 6 h of the onset of boron starvation, but not in shoots. Promoter-GUS analysis suggested that OsNIP3;1 is expressed mainly in exodermal cells and steles in roots, as well as in cells around the vascular bundles in leaf sheaths and pericycle cells around the xylem in leaf blades. The growth of OsNIP3;1 RNAi plants was impaired under boron limitation. These results indicate that OsNIP3;1 functions as a boric acid channel, and is required for acclimation to boron limitation. Boron distribution among shoot tissues was altered in OsNIP3;1 knockdown plants, especially under boron-deficient conditions. This result demonstrates that OsNIP3;1 regulates boron distribution among shoot tissues, and that the correct boron distribution is crucial for plant growth. © 2014 The Authors The Plant Journal © 2014 John Wiley & Sons Ltd.

Processing and characterization of boron carbide-hafnium diboride ceramics

NASA Astrophysics Data System (ADS)

Brown-Shaklee, Harlan James

Hafnium diboride based ceramics are promising candidate materials for advanced aerospace and nuclear reactor components. The effectiveness of boron carbide and carbon as HfB2 sintering additives was systematically evaluated. In the first stage of the research, boron carbide and carbon additives were found to improve the densification behavior of milled HfB2 powder in part by removing oxides at the HfB2 surface during processing. Boron carbide additives reduced the hot pressing temperature of HfB2 by 150°C compared to carbon, which reduced the hot pressing temperature by ˜50°C. Reduction of oxide impurities alone could not explain the difference in sintering enhancement, however, and other mechanisms of enhancement were evaluated. Boron carbides throughout the homogeneity range were characterized to understand other mechanisms of sintering enhancement in HfB2. Heavily faulted carbon rich and boron rich boron carbides were synthesized for addition to HfB2. The greatest enhancement to densification was observed in samples containing boron- and carbon-rich compositions whereas B6.5 C provided the least enhancement to densification. It is proposed that carbon rich and boron rich boron carbides create boron and hafnium point defects in HfB2, respectively, which facilitate densification. Evaluation of the thermal conductivity (kth) between room temperature and 2000°C suggested that the stoichiometry of the boron carbide additives did not significantly affect kth of HfB2-BxC composites. The improved sinterability and the high kth (˜110 W/m-K at 300K and ˜90 W/m-K at 1000°C ) of HfB2-BxC ceramics make them excellent candidates for isotopically enriched reactor control materials.

Boron isotopes at the catchment scale, a new potential tool to infer critical zone processes.

NASA Astrophysics Data System (ADS)

Gaillardet, J.; Noireaux, J.; Braun, J. J.; Riotte, J.; Louvat, P.; Bouchez, J.; Lemarchand, D.; Muddu, S.; Mohan Kumar, M.; Candaudap, F.

2017-12-01

Boron is a mid-mass element that has two isotopes, 10B and 11B. These isotopes are largely fractioned by a number of chemical, biological and physical processes. Boron as a great affinity for clays and is useful for life, making it a double tracer of critical zone processes. This study focuses on the Mule Hole Critical Zone Observatory in South India. This is part of the French Research Infrastructure OZCAR and has benefited from the fruitful Indo-French collaboration (Indo-French Cell for Water Sciences) for more that 15 years. Boron and its isotopes were measured in the different compartment of the CZ in Mule Hole, vegetation, atmosphere, throughfall, soil, soil water, river water and compared to the behavior of other elements. The well constrained hydrology in Mule Hole allowed us to calculate the main fluxes affecting boron in the Critical Zone and came to the first order conclusion that the recycling of boron by vegetation is by far the most important flux within the system, reaching 15-20 times the catchment outlet flux. From an isotopic point of view, the total range of variation is measured between -3 ‰ and 77‰, with a bedrock value at 10‰ in classical delta unit, making boron a well suited tracer for constraining CZ processes. The flux of boron most enriched in heavy boron is the throughfall, showing the importance of biological processes in controlling the boron isotopic composition of the stream. Boron in soils in depleted in the heavy isotope but is enriched in boron compared to the bedrock, a surprising situation that we interpret as the legacy of a previous stage of transient weathering. These results indicate a strong decoupling between the behaviors of boron at the surface of the CZ and at depth.

Growth and characterization of boron doped graphene by Hot Filament Chemical Vapor Deposition Technique (HFCVD)

NASA Astrophysics Data System (ADS)

Jafari, A.; Ghoranneviss, M.; Salar Elahi, A.

2016-03-01

Large-area boron doped graphene was synthesized on Cu foil (as a catalyst) by Hot Filament Chemical Vapor Deposition (HFCVD) using boron oxide powder and ethanol vapor. To investigate the effect of different boron percentages, grow time and the growth mechanism of boron-doped graphene, scanning electron microscopy (SEM), Raman scattering and X-ray photoelectron spectroscopy (XPS) were applied. Also in this experiment, the I-V characteristic carried out for study of electrical property of graphene with keithley 2361 system. Nucleation of graphene domains with an average domain size of ~20 μm was observed when the growth time is 9 min that has full covered on the Cu surface. The Raman spectroscopy show that the frequency of the 2D band down-shifts with B doping, consistent with the increase of the in-plane lattice constant, and a weakening of the B-C in-plane bond strength relative to that of C-C bond. Also the shifts of the G-band frequencies can be interpreted in terms of the size of the C-C ring and the changes in the electronic structure of graphene in the presence of boron atoms. The study of electrical property shows that by increasing the grow time the conductance increases which this result in agree with SEM images and graphene grain boundary. Also by increasing the boron percentage in gas mixer the conductance decreases since doping graphene with boron creates a band-gap in graphene band structure. The XPS results of B doped graphene confirm the existence of boron in doped graphene, which indicates the boron atoms doped in the graphene lattice are mainly in the form of BC3. The results showed that boron-doped graphene can be successfully synthesized using boron oxide powder and ethanol vapor via a HFCVD method and also chemical boron doping can be change the electrical conductivity of the graphene.

An improved procedure for separation/purification of boron from complex matrices and high-precision measurement of boron isotopes by positive thermal ionization and multicollector inductively coupled plasma mass spectrometry.

PubMed

Wei, Hai-Zhen; Jiang, Shao-Yong; Hemming, N Gary; Yang, Jing-Hong; Yang, Tao; Wu, He-Pin; Yang, Tang-Li; Yan, Xiong; Pu, Wei

2014-06-01

In order to eliminate boron loss and potential isotopic fractionation during chemical pretreatment of natural samples with complex matrices, a three-column ion-exchange separation/purification procedure has been modified, which ensures more than 98% recovery of boron from each step for a wide range of sample matrices, and is applicable for boron isotope analysis by both TIMS and MC-ICP-MS. The PTIMS-Cs2BO2(+)-static double collection method was developed, ensuring simultaneous collection of (133)Cs2(11)B(16)O2(+)(m/z 309) and (133)Cs2(10)B(16)O2(+) (m/z 308) ions in adjacent H3-H4 Faraday cups with typical zoom optics parameters (Focus Quad: 15 V, Dispersion Quad: -85 V). The external reproducibilities of the measured (11)B/(10)B ratios of the NIST 951 boron standard solutions of 1000 ng, 100 ng and 10 ng of boron by PTIMS method are ±0.06‰, ±0.16‰ and ±0.25‰, respectively, which indicates excellent precision can be achieved for boron isotope measurement at nanogram level boron in natural samples. An on-peak zero blank correction procedure was employed to correct the residual boron signals effect in MC-ICP-MS, which gives consistent δ(11)B values with a mean of 39.66±0.35‰ for seawater in the whole range of boron content from 5 ppb to 200 ppb, ensuring accurate boron isotope analysis in few ppb boron. With the improved protocol, consistent results between TIMS and MC-ICP-MS data were obtained in typical geological materials within a wide span of δ(11)B values ranging from -25‰ to +40‰. Copyright © 2014 Elsevier B.V. All rights reserved.

Dietary boron: possible roles in human and animal physiology

USDA-ARS?s Scientific Manuscript database

Boron is a bioactive element of low molecular weight. Since discovery of the first boron biomolecule, boromycin, in 1967, several other similar biomolecules are now well-characterized. Most recently described was a bacterial cell-to-cell communication signal that requires boron, autoinducer-II. Boro...

Properties of vacuum-evaporated boron films

NASA Technical Reports Server (NTRS)

Feakes, F.

1973-01-01

The work on the properties of thin boron films made by vacuum evaporation of elemental boron using an electron beam as the energy source is reported. The program aimed at characterizing the properties of vacuum evaporated films. The work was directed toward those variables considered to be important in affecting the tensile strength of the boron films. In general, the thickness of the films was less than 0.002 in. The temperature of the substrate on which the boron was condensed was found to be most important. Three distinctly different forms of boron deposit were produced. Although the transition temperature was not sharply defined, at substrate temperatures of less than approximately 600 deg C the boron deposits were amorphous to X-ray. If the substrate were highly polished, the deposits were black and mirror-like. For substrates with coefficients of thermal expansion close to that of boron, the deposits were then continuous and uncracked. The studies suggest that the potential continues to exist for film-type composites to have both high strength and high modulus.

Mechanisms implicated in the effects of boron on wound healing.

PubMed

Nzietchueng, Rosine Mayap; Dousset, Brigitte; Franck, Patricia; Benderdour, Mohamed; Nabet, Pierre; Hess, Ketsia

2002-01-01

Recently, we demonstrated that boron modulates the turnover of the extracellular matrix and increases TNFalpha release. In the present study, we used an in vitro test to investigate the direct effect of boron on specific enzymes (elastase, trypsin-like enzymes, collagenase and alkaline phosphatase) implicated in extracellular matrix turnover. Boron decreased the elastase and alkaline phosphatase activity, but had no effect on trypsin and collagenase activities. The effect of boron on the enzyme activities was also tested in fibroblasts considered as an in vivo test. In contrast to the results obtained in vitro, boron enhanced the trypsin-like, collagenase, and cathepsin D activities in fibroblasts. Boron did not modify the generation of free radicals compared to the control and did not seem to act on the intracellular alkaline phosphatase activity, However, as it did enhance phosphorylation, it can be hypothesized that boron may affect living cells via a mediator, which could be TNFalpha whose transduction signal involves a cascade of phosphorylations.

Global transport of light elements boron and carbon in the full-W ASDEX Upgrade

NASA Astrophysics Data System (ADS)

ASDEX Upgrade Team; Hakola, A.; Likonen, J.; Koivuranta, S.; Krieger, K.; Mayer, M.; Neu, R.; Rohde, V.; Sugiyama, K.

2011-08-01

Transport of carbon and boron has been investigated in the full-W ASDEX Upgrade after experimental campaigns with (2008) and without (2007) boronizations. For this purpose, poloidal deposition profiles of the two elements on tungsten and graphite regions of lower-divertor tiles have been determined. Carbon is mainly deposited in the inner divertor - 80-90% of the determined 12C and 13C inventories on W - while boron shows a much more symmetric deposition profile. In the unboronized machine, the boron inventories are a factor of 10 smaller than in the boronized case and result from residual boron atoms left in the torus prior to the 2007 campaign. Both carbon and boron are deposited more efficiently and/or show less erosion on graphite than on tungsten, particularly in the outer divertor. For 13C, the difference is 10-100 in favor of graphite. This is most probably caused by a higher re-erosion from tungsten surfaces.

Controlling the Morphology and Oxidation Resistance of Boron Carbide Synthesized Via Carbothermic Reduction Reaction

NASA Astrophysics Data System (ADS)

Ahmed, Yasser M. Z.; El-Sheikh, Said M.; Ewais, Emad M. M.; Abd-Allah, Asmaa A.; Sayed, Said A.

2017-03-01

Boron carbide powder was synthesized from boric acid and lactose mixtures via easy procedure. Boric acid and lactose solution mixtures were roasted in stainless steel pot at 280 °C for 24 h. Boron carbide was obtained by heating the roasted samples under flowing of industrial argon gas at 1500 °C for 3 h. The amount of borate ester compound in the roasted samples was highly influenced by the boron/carbon ratio in the starting mixtures and plays a versatile role in the produced boron carbide. The high-purity boron carbide powder was produced with a sample composed of lowest boron/carbon ratio of 1:1 without calcination step. Particle morphology was changed from nano-needles like structure of 8-10 nm size with highest carbon ratio mixture to spherical shape of >150 nm size with lowest one. The oxidation resistance performance of boron carbide is highly dependent on the morphology and grain size of the synthesized powder.

Experimental Studies of Boronophenylalanine ({sup 10}BPA) Biodistribution for the Individual Application of Boron Neutron Capture Therapy (BNCT) for Malignant Melanoma Treatment

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

Carpano, Marina; Perona, Marina; Rodriguez, Carla

Purpose: Patients with the same histopathologic diagnosis of cutaneous melanoma treated with identical protocols of boron neutron capture therapy (BNCT) have shown different clinical outcomes. The objective of the present studies was to evaluate the biodistribution of boronophenilalanina ({sup 10}BPA) for the potential application of BNCT for the treatment of melanoma on an individual basis. Methods and Materials: The boronophenilalanine (BPA) uptake was evaluated in 3 human melanoma cell lines: MEL-J, A375, and M8. NIH nude mice were implanted with 4 10{sup 6} MEL-J cells, and biodistribution studies of BPA (350 mg/kg intraperitoneally) were performed. Static infrared imaging using a speciallymore » modified infrared camera adapted to measure the body infrared radiance of small animals was used. Proliferation marker, Ki-67, and endothelial marker, CD31, were analyzed in tumor samples. Results: The in vitro studies demonstrated different patterns of BPA uptake for each analyzed cell line (P<.001 for MEL-J and A375 vs M8 cells). The in vivo studies showed a maximum average boron concentration of 25.9 ± 2.6 μg/g in tumor, with individual values ranging between 11.7 and 52.0 μg/g of {sup 10}B 2 hours after the injection of BPA. Tumor temperature always decreased as the tumors increased in size, with values ranging between 37°C and 23°C. A significant correlation between tumor temperature and tumor-to-blood boron concentration ratio was found (R{sup 2} = 0.7, rational function fit). The immunohistochemical studies revealed, in tumors with extensive areas of viability, a high number of positive cells for Ki-67, blood vessels of large diameter evidenced by the marker CD31, and a direct logistic correlation between proliferative status and boron concentration difference between tumor and blood (R{sup 2} = 0.81, logistic function fit). Conclusion: We propose that these methods could be suitable for designing new screening protocols applied before melanoma BNCT treatment for each individual patient and lesion.« less

Radiation response of cubic mesoporous silicate and borosilicate thin films

NASA Astrophysics Data System (ADS)

Manzini, Ayelén; Alurralde, Martín; Luca, Vittorio

2018-01-01

The radiation response has been studied of cubic mesoporous silicate and borosilicate thin films having different boron contents prepared using the block copolymer template Brij 58 and the dip coating technique. The degree of pore ordering of the films was analysed using low-angle X-ray diffraction and film thickness measured by X-ray reflectivity. For films calcined at 350 °C, the incorporation of boron resulted in a reproducible oscillatory variation in the d-spacing and intensity of the primary reflection as a function of boron content. A clear peak was observed in the d-spacing at 5-10 mol% boron incorporation. For borosilicate films of a given composition an overall suppression of d-spacing was observed as a function of aging time relative to films that did not contain boron. This was ascribed to a slow condensation process. The films were irradiated in pile with neutrons and with iodine ions at energies of 180 keV and 70 MeV. Neutron irradiation of the silicate thin films for periods up to 30 days and aged for 400 days resulted in little reduction in either d-spacing or intensity of the primary low-angle X-ray reflection indicating that the films retained their mesopore ordering. In contrast borosilicate films for which the B (n, α) reaction was expected to result in enhanced displacement damage showed much larger variations in X-ray parameters. For these films short irradiation times resulted in a reduction of the d-spacing and intensity of the primary reflections considerably beyond that observed through aging. It is concluded that prolonged neutron irradiation and internal α irradiation have only a small, although measurable, impact on mesoporous borosilicate thin films increasing the degree of condensation and increasing unit cell contraction. When these borosilicate films were irradiated with iodine ions, more profound changes occurred. The pore ordering of the films was significantly degraded when low energy ions were used. In some cases the degree of damage was such that no low-angle reflection could be observed. This degradation of pore ordering was confirmed in scanning electron microscopy images of the irradiated films.

Experimental Studies of Boronophenylalanine ((10)BPA) Biodistribution for the Individual Application of Boron Neutron Capture Therapy (BNCT) for Malignant Melanoma Treatment.

PubMed

Carpano, Marina; Perona, Marina; Rodriguez, Carla; Nievas, Susana; Olivera, Maria; Santa Cruz, Gustavo A; Brandizzi, Daniel; Cabrini, Romulo; Pisarev, Mario; Juvenal, Guillermo Juan; Dagrosa, Maria Alejandra

2015-10-01

Patients with the same histopathologic diagnosis of cutaneous melanoma treated with identical protocols of boron neutron capture therapy (BNCT) have shown different clinical outcomes. The objective of the present studies was to evaluate the biodistribution of boronophenilalanina ((10)BPA) for the potential application of BNCT for the treatment of melanoma on an individual basis. The boronophenilalanine (BPA) uptake was evaluated in 3 human melanoma cell lines: MEL-J, A375, and M8. NIH nude mice were implanted with 4 10(6) MEL-J cells, and biodistribution studies of BPA (350 mg/kg intraperitoneally) were performed. Static infrared imaging using a specially modified infrared camera adapted to measure the body infrared radiance of small animals was used. Proliferation marker, Ki-67, and endothelial marker, CD31, were analyzed in tumor samples. The in vitro studies demonstrated different patterns of BPA uptake for each analyzed cell line (P<.001 for MEL-J and A375 vs M8 cells). The in vivo studies showed a maximum average boron concentration of 25.9 ± 2.6 μg/g in tumor, with individual values ranging between 11.7 and 52.0 μg/g of (10)B 2 hours after the injection of BPA. Tumor temperature always decreased as the tumors increased in size, with values ranging between 37 °C and 23 °C. A significant correlation between tumor temperature and tumor-to-blood boron concentration ratio was found (R(2) = 0.7, rational function fit). The immunohistochemical studies revealed, in tumors with extensive areas of viability, a high number of positive cells for Ki-67, blood vessels of large diameter evidenced by the marker CD31, and a direct logistic correlation between proliferative status and boron concentration difference between tumor and blood (R(2) = 0.81, logistic function fit). We propose that these methods could be suitable for designing new screening protocols applied before melanoma BNCT treatment for each individual patient and lesion. Copyright © 2015 Elsevier Inc. All rights reserved.

3. Credit USAF, ca. 1945. Original housed in the Records ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

3. Credit USAF, ca. 1945. Original housed in the Records of the Defense Intelligence Agency. Record Group 373. National Archives. Cartographic and Architectural Branch. Washington, D.C. Aerial orthophoto map 16PS5M79-IV23 of Muroc Flight Test Base (North Base), north faces up with runway at the top and Rogers Dry Lake at the lower right. Ammunition huts (not extant in 1995) appear in a cluster just south of the west end of the runway. Note runway markings on lakebed. Linear feature at very top of image is rocket sled test track designed and built 1944-1945. - Edwards Air Force Base, North Base, North Base Road, Boron, Kern County, CA

6. Credit WCT. Original 21" x 2Y" color negative is ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

6. Credit WCT. Original 2-1" x 2-Y" color negative is housed in the JPL Photography Laboratory, Pasadena, California. JPL staff members Harold Anderson and John Morrow weigh out small amounts of an undetermined substance according to a solid propellant formula (JPL negative no. JPL-10277AC, 27 January 1989). - Jet Propulsion Laboratory Edwards Facility, Weigh & Control Building, Edwards Air Force Base, Boron, Kern County, CA

Composition and method to remove asbestos

DOEpatents

Block, Jacob

1998-05-19

A composition for transforming a chrysotile asbestos-containing material into a non-asbestos material is disclosed, wherein the composition comprises water, at least about 30% by weight of a boron tetrafluoride salt, free of or having only small amounts of an inorganic acid, an inorganic acid salt or a mixture thereof. A method of transforming the asbestos-containing material into a non-asbestos material using the present composition also is disclosed.

Composition and method to remove asbestos

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

Block, J.

A composition for transforming a chrysotile asbestos-containing material into a non-asbestos material is disclosed. The composition comprises water, at least about 30% by weight of a boron tetrafluoride salt, free of or having only small amounts of an inorganic acid, an inorganic acid salt or a mixture thereof. A method of transforming the asbestos-containing material into a non-asbestos material using the present composition also is disclosed.

Composition and method to remove asbestos

DOEpatents

Block, J.

1998-05-19

A composition for transforming a chrysotile asbestos-containing material into a non-asbestos material is disclosed. The composition comprises water, at least about 30% by weight of a boron tetrafluoride salt, free of or having only small amounts of an inorganic acid, an inorganic acid salt or a mixture thereof. A method of transforming the asbestos-containing material into a non-asbestos material using the present composition also is disclosed.

Removing Chlorides From Metallurgical-Grade Silicon

NASA Technical Reports Server (NTRS)

Breneman, W. C.; Coleman, L. M.

1982-01-01

Process for making low-cost silicon for solar cells is further improved. Silane product recycled to feed stripper column converts some of heavy impurities to volatile ones that pass off at top of column with light wastes. Impurities--chlorides of arsenic, phosphorus, and boron-would otherwise be carried to subsequent distillations where they would be difficult to remove. Since only a small amount of silane is recycled, silicon production efficiency remains high.

Superalloys with improved weldability for high temperature applications

DOEpatents

Seth, Brij B.; George, Easo P.; Babu, Sudarsanum S.; Goodwin, Gene M.; David, Stanislaus A.; Moyer, Carol E.

2001-01-01

A cast nickel-base superalloy component (10) is made having a composition containing small amounts of both boron and zirconium which are effective in combination to provide increased weldability, where such alloy is adapted for welding by weld (18) to a second superalloy piece, where the two pieces are firmly bonded together and have a Sigmajig transverse stress value (16) greater than 137.9 million Newtons per square meter.

X-ray method shows fibers fail during fatigue of boron-epoxy laminates

NASA Technical Reports Server (NTRS)

Roderick, G. L.; Whitcomb, J. D.

1975-01-01

A method proposed for studying progressive fiber fracture in boron-epoxy laminates during fatigue tests is described. It is based on the intensity of X-ray absorption of the tungsten core in the boron filaments as contrasted with that of the boron and epoxy matrix. When the laminate is X-rayed, the image of the tungsten in the born filaments is recorded on a photographic plate. Breaks in the boron laminates can be easily identified by magnifying the photographic plates. The method is suitable for studying broken boron filaments in most matrix materials, and may supply key information for developing realistic fatigue and fracture models.

Biodistribution of the boron carriers boronophenylalanine (BPA) and/or decahydrodecaborate (GB-10) for Boron Neutron Capture Therapy (BNCT) in an experimental model of lung metastases.

PubMed

Trivillin, V A; Garabalino, M A; Colombo, L L; González, S J; Farías, R O; Monti Hughes, A; Pozzi, E C C; Bortolussi, S; Altieri, S; Itoiz, M E; Aromando, R F; Nigg, D W; Schwint, A E

2014-06-01

BNCT was proposed for the treatment of diffuse, non-resectable tumors in the lung. We performed boron biodistribution studies with 5 administration protocols employing the boron carriers BPA and/or GB-10 in an experimental model of disseminated lung metastases in rats. All 5 protocols were non-toxic and showed preferential tumor boron uptake versus lung. Absolute tumor boron concentration values were therapeutically useful (25-76ppm) for 3 protocols. Dosimetric calculations indicate that BNCT at RA-3 would be potentially therapeutic without exceeding radiotolerance in the lung. © 2013 Published by Elsevier Ltd.

Biodistribution of the boron carriers boronophenylalanine (BPA) and/or decahydrodecaborate (GB-10) for Boron Neutron Capture Therapy (BNCT) in an experimental model of lung metastases

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

D.W. Nigg; Various Others

BNCT was proposed for the treatment of diffuse, non-resectable tumors in the lung. We performed boron biodistribution studies with 5 administration protocols employing the boron carriers BPA and/or GB-10 in an experimental model of disseminated lung metastases in rats. All 5 protocols were non-toxic and showed preferential tumor boron uptake versus lung. Absolute tumor boron concentration values were therapeutically useful (25–76 ppm) for 3 protocols. Dosimetric calculations indicate that BNCT at RA-3 would be potentially therapeutic without exceeding radiotolerance in the lung.

Magnetron sputtered boron films

DOEpatents

Makowiecki, Daniel M.; Jankowski, Alan F.

1998-01-01

A method is described for the production of thin boron and titanium/boron films by magnetron sputter deposition. The amorphous boron films contain no morphological growth features, unlike those found when thin films are prepared by various physical vapor deposition processes. Magnetron sputter deposition method requires the use of a high density crystalline boron sputter target which is prepared by hot isostatic pressing. Thin boron films prepared by this method are useful for producing hardened surfaces, surfacing machine tools, etc. and for ultra-thin band pass filters as well as the low Z element in low Z/high Z optical components, such as mirrors which enhance reflectivity from grazing to normal incidence.

Low pressure growth of cubic boron nitride films

NASA Technical Reports Server (NTRS)

Ong, Tiong P. (Inventor); Shing, Yuh-Han (Inventor)

1997-01-01

A method for forming thin films of cubic boron nitride on substrates at low pressures and temperatures. A substrate is first coated with polycrystalline diamond to provide a uniform surface upon which cubic boron nitride can be deposited by chemical vapor deposition. The cubic boron nitride film is useful as a substitute for diamond coatings for a variety of applications in which diamond is not suitable. any tetragonal or hexagonal boron nitride. The cubic boron nitride produced in accordance with the preceding example is particularly well-suited for use as a coating for ultra hard tool bits and abrasives, especially those intended to use in cutting or otherwise fabricating iron.

Magnetron sputtered boron films

DOEpatents

Makowiecki, D.M.; Jankowski, A.F.

1998-06-16

A method is described for the production of thin boron and titanium/boron films by magnetron sputter deposition. The amorphous boron films contain no morphological growth features, unlike those found when thin films are prepared by various physical vapor deposition processes. Magnetron sputter deposition method requires the use of a high density crystalline boron sputter target which is prepared by hot isostatic pressing. Thin boron films prepared by this method are useful for producing hardened surfaces, surfacing machine tools, etc. and for ultra-thin band pass filters as well as the low Z element in low Z/high Z optical components, such as mirrors which enhance reflectivity from grazing to normal incidence. 8 figs.

Matrix Transformation in Boron Containing High-Temperature Co-Re-Cr Alloys

NASA Astrophysics Data System (ADS)

Strunz, Pavel; Mukherji, Debashis; Beran, Přemysl; Gilles, Ralph; Karge, Lukas; Hofmann, Michael; Hoelzel, Markus; Rösler, Joachim; Farkas, Gergely

2018-03-01

An addition of boron largely increases the ductility in polycrystalline high-temperature Co-Re alloys. Therefore, the effect of boron on the alloy structural characteristics is of high importance for the stability of the matrix at operational temperatures. Volume fractions of ɛ (hexagonal close-packed—hcp), γ (face-centered cubic—fcc) and σ (Cr2Re3 type) phases were measured at ambient and high temperatures (up to 1500 °C) for a boron-containing Co-17Re-23Cr alloy using neutron diffraction. The matrix phase undergoes an allotropic transformation from ɛ to γ structure at high temperatures, similar to pure cobalt and to the previously investigated, more complex Co-17Re-23Cr-1.2Ta-2.6C alloy. It was determined in this study that the transformation temperature depends on the boron content (0-1000 wt. ppm). Nevertheless, the transformation temperature did not change monotonically with the increase in the boron content but reached a minimum at approximately 200 ppm of boron. A probable reason is the interplay between the amount of boron in the matrix and the amount of σ phase, which binds hcp-stabilizing elements (Cr and Re). Moreover, borides were identified in alloys with high boron content.

β-Rhombohedral Boron: At the Crossroads of the Chemistry of Boron and the Physics of Frustration [Boron: a frustrated element

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

Ogitsu, Tadashi; Schwegler, Eric; Galli, Giulia

2013-05-08

In the periodic table boron occupies a peculiar, crossover position: on the first row, it is surrounded by metal forming elements on the left and by non-metals on the right. In addition, it is the only non-metal of the third column. Therefore it is perhaps not surprising that the crystallographic structure and topology of its stable allotrope at room temperature (β-boron) are not shared by any other element, and are extremely complex. The formidable intricacy of β- boron, with interconnecting icosahedra, partially occupied sites, and an unusually large number of atoms per unit cell (more than 300) has been knownmore » for more than 40 years. Nevertheless boron remains the only element purified in significant quantities whose ground state geometry has not been completely determined by experiments. However theoretical progress reported in the last decade has shed light on numerous properties of elemental boron, leading to a thorough characterization of its structure at ambient conditions, as well as of its electronic and thermodynamic properties. This review discusses in detail the properties of β-boron, as inferred from experiments and the ab-initio theories developed in the last decade.« less

Boron removal and its concentration in aqueous solution through progressive freeze concentration.

PubMed

Wang, Li Pang

2017-09-01

This study explored the feasibility of progressive freeze concentration in boron removal and its concentration in aqueous solution. The influence of three key parameters in progressive freeze concentration on boron removal and concentration, namely, the advance speed of the ice front, the circumferential velocity of the stirrer, and the initial boron concentration, are investigated by conducting batch experiments. The results show that the effectiveness of boron removal increases with a lower advance speed of the ice front, a higher circumferential velocity of the stirrer, and a lower initial boron concentration. For a model boron solution with an initial concentration of 100 mg/L, the boron concentration in the ice phase after progressive freeze concentration is below 1 mg/L when the advance speed of the ice front is lower than 1 cm/h and the circumferential velocity of the stirrer is higher than 0.12 m/s. In addition, the concentration of boron in the liquid phase occurs simultaneously with progressive freeze concentration. Furthermore, the results also suggest that this method can be applied to the purification and concentration of not only organic molecules but also inorganic ions.

40 CFR Appendix A to Part 68 - Table of Toxic Endpoints

Code of Federal Regulations, 2014 CFR

2014-07-01

... Arsenous trichloride 0.010 7784-42-1 Arsine 0.0019 10294-34-5 Boron trichloride [Borane, trichloro-] 0.010 7637-07-2 Boron trifluoride [Borane, trifluoro-] 0.028 353-42-4 Boron trifluoride compound with methyl ether (1:1) [Boron, trifluoro[oxybis[methane

40 CFR Appendix A to Part 68 - Table of Toxic Endpoints

Code of Federal Regulations, 2013 CFR

2013-07-01

... Arsenous trichloride 0.010 7784-42-1 Arsine 0.0019 10294-34-5 Boron trichloride [Borane, trichloro-] 0.010 7637-07-2 Boron trifluoride [Borane, trifluoro-] 0.028 353-42-4 Boron trifluoride compound with methyl ether (1:1) [Boron, trifluoro[oxybis[methane

40 CFR Appendix A to Part 68 - Table of Toxic Endpoints

Code of Federal Regulations, 2012 CFR

2012-07-01

... Arsenous trichloride 0.010 7784-42-1 Arsine 0.0019 10294-34-5 Boron trichloride [Borane, trichloro-] 0.010 7637-07-2 Boron trifluoride [Borane, trifluoro-] 0.028 353-42-4 Boron trifluoride compound with methyl ether (1:1) [Boron, trifluoro[oxybis[methane

Cobalt Doping of Semiconducting Boron Carbide Using Cobaltocene

DTIC Science & Technology

2007-03-01

COBALT DOPING OF SEMICONDUCTING BORON CARBIDE USING COBALTOCENE THESIS Lonnie Carlson, Major...DOPING OF SEMICONDUCTING BORON CARBIDE USING COBALTOCENE THESIS Presented to the Faculty Department of Engineering Physics Graduate School...DISTRIBUTION UNLIMITED AFIT/GNE/ENP/07-01 COBALT DOPING OF SEMICONDUCTING BORON CARBIDE USING COBALTOCENE Lonnie

THE BORON-CURCUMIN COMPLEX IN TRACE BORON DETERMINATIONS

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

Heyes, M.R.; Metcalfe, J.

1963-01-01

A simple and robust method for the formation of the complex of boron with curcumin is described. The sensitivity of the method is 6.6 x 10/sup -5/ g/cm/sup 2/. Formation of the complex is believed to be quantitative under the conditions used and some evidence is given for a 1: 3 boron; curcumin ratio. Methods are outlined for the determination of boron in a number of metals, compounds, and organic materials. (auth)

Method for production of free-standing polycrystalline boron phosphide film

DOEpatents

Baughman, Richard J.; Ginley, David S.

1985-01-01

A process for producing a free-standing polycrystalline boron phosphide film comprises growing a film of boron phosphide in a vertical growth apparatus on a metal substrate. The metal substrate has a coefficient of thermal expansion sufficiently different from that of boron phosphide that the film separates cleanly from the substrate upon cooling thereof, and the substrate is preferably titanium. The invention also comprises a free-standing polycrystalline boron phosphide film for use in electronic device fabrication.

Methods for boron delivery to mammalian tissue

DOEpatents

Hawthorne, M. Frederick; Feaks, Debra A.; Shelly, Kenneth J.

2003-01-01

Boron neutron capture therapy can be used to destroy tumors. This treatment modality is enhanced by delivering compounds to the tumor site where the compounds have high concentrations of boron, the boron compounds being encapsulated in the bilayer of a liposome or in the bilayer as well as the internal space of the liposomes. Preferred compounds, include carborane units with multiple boron atoms within the carborane cage structure. Liposomes with increased tumor specificity may also be used.

Lipase-catalyzed highly enantioselective kinetic resolution of boron-containing chiral alcohols.

PubMed

Andrade, Leandro H; Barcellos, Thiago

2009-07-16

The first application of enzymes as catalysts to obtain optically pure boron compounds is described. The kinetic resolution of boron-containing chiral alcohols via enantioselective transesterification catalyzed by lipases was studied. Aromatic, allylic, and aliphatic secondary alcohols containing a boronate ester or boronic acid group were resolved by lipase from Candida antartica (CALB), and excellent E values (E > 200) and high enantiomeric excesses (up to >99%) of both remaining substrates and acetylated product were obtained.

Functional characterization of Citrus macrophylla BOR1 as a boron transporter.

PubMed

Cañon, Paola; Aquea, Felipe; Rodríguez-Hoces de la Guardia, Amparo; Arce-Johnson, Patricio

2013-11-01

Plants have evolved to develop an efficient system of boron uptake and transport using a range of efflux carriers named BOR proteins. In this work we isolated and characterized a boron transporter of citrus (Citrus macrophylla), which was named CmBOR1 for its high homology to AtBOR1. CmBOR1 has 4403 bp and 12 exons. Its coding region has 2145 bp and encodes for a protein of 714 amino acids. CmBOR1 possesses the molecular features of BORs such as an anion exchanger domain and the presence of 10 transmembrane domains. Functional analysis in yeast indicated that CmBOR1 has an efflux boron transporter activity, and transformants have increased tolerance to excess boron. CmBOR1 is expressed in leaves, stem and flowers and shows the greatest accumulation in roots. The transcript accumulation was significantly increased under boron deficiency conditions in shoots. In contrast, the accumulation of the transcript did not change in boron toxicity conditions. Finally, we observed that constitutive expression of CmBOR1 was able to increase tolerance to boron deficiency conditions in Arabidopsis thaliana, suggesting that CmBOR1 is a xylem loading boron transporter. Based on these results, it was determined that CmBOR1 encodes a boric acid/borate transporter involved in tolerance to boron deficiency in plants. © 2013 Scandinavian Plant Physiology Society.

CHEMICAL METHODS FOR THE DETERMINATION OF BORON IN REACTOR MATERIALS. PART I. ION-EXCHANGE SEPARATION OF BORON FROM COKES, PITCHES AND GRAPHITES AND ITS COLORIMETRIC DETERMINATION BY THE CURCUMIN-TRI-CHLORACETIC ACID METHOD

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

Desai, H.B.; Desai, S.R.; Nadkarni, M.N.

1961-01-01

A procedure has been standardized for the determination of boron in cokes, pitches, and graphites. The method consists of fixing the boron present in the sample as calcium borate, ion-exchange separation of boric acid from the associated cations, and the colorimetric determination of boron using the curcumin-trichloracetic acid method. Sulfur which is usually present in pitches and cokes is expected to be oxidized to sulfate during the fixation of boron and hence its effect on the colorimetry has been studied. Application of the procedure to the determination of 0.50 and 1.00 microgram amounts of boron, has given coefficients of variationmore » of l0.0 and 6.7% respectively. (auth)« less

Computational Design of Clusters for Catalysis

NASA Astrophysics Data System (ADS)

Jimenez-Izal, Elisa; Alexandrova, Anastassia N.

2018-04-01

When small clusters are studied in chemical physics or physical chemistry, one perhaps thinks of the fundamental aspects of cluster electronic structure, or precision spectroscopy in ultracold molecular beams. However, small clusters are also of interest in catalysis, where the cold ground state or an isolated cluster may not even be the right starting point. Instead, the big question is: What happens to cluster-based catalysts under real conditions of catalysis, such as high temperature and coverage with reagents? Myriads of metastable cluster states become accessible, the entire system is dynamic, and catalysis may be driven by rare sites present only under those conditions. Activity, selectivity, and stability are highly dependent on size, composition, shape, support, and environment. To probe and master cluster catalysis, sophisticated tools are being developed for precision synthesis, operando measurements, and multiscale modeling. This review intends to tell the messy story of clusters in catalysis.

Characterization of boron tolerant bacteria isolated from a fly ash dumping site for bacterial boron remediation.

PubMed

Edward Raja, Chellaiah; Omine, Kiyoshi

2013-08-01

Boron is an essential micronutrient for plants, but can above certain concentrations be toxic to living organisms. A major environmental concern is the removal of boron from contaminated water and fly ash. For this purpose, the samples were collected from a fly ash dumping site, Nagasaki prefecture, Japan. The chemical characteristics and heavy metal concentration of the samples were performed by X-ray fluorescent analysis and leaching test. For bacterial analysis, samples were collected in sterile plastic sheets and isolation was carried out by serial dilution method. The boron tolerant isolates that showed values of maximum inhibitory concentration toward boron ranging from 100 to 260 mM level were screened. Based on 16S rRNA sequencing and phylogenetic analysis, the isolates were most closely related to the genera Bacillus, Lysinibacillus, Microbacterium and Ralstonia. The boron tolerance of these strains was also associated with resistant to several heavy metals, such as As (III), Cr (VI), Cd, Cu, Pb, Ni, Se (III) and Zn. Indeed, these strains were arsenic oxidizing bacteria confirmed by silver nitrate test. These strains exhibited their salt resistances ranging from 4 to 15 % were determined in Trypticase soy agar medium. The boron tolerant strains were capable of removing 0.1-2.0 and 2.7-3.7 mg l(-1) boron from the medium and fly ash at 168 h. Thus, we have successfully identified the boron tolerant and removal bacteria from a fly ash dumping site for boron remediation.

OGLE Collection of Star Clusters. New Objects in the Magellanic Bridge and the Outskirts of the Small Magellanic Cloud

NASA Astrophysics Data System (ADS)

Sitek, M.; Szymański, M. K.; Udalski, A.; Skowron, D. M.; Kostrzewa-Rutkowska, Z.; Skowron, J.; Karczmarek, P.; Cieślar, M.; Wyrzykowski, Ł.; Kozłowski, S.; Pietrukowicz, P.; Soszyński, I.; Mróz, P.; Pawlak, M.; Poleski, R.; Ulaczyk, K.

2017-12-01

The Magellanic System (MS) encompasses the nearest neighbors of the Milky Way, the Large (LMC) and Small (SMC) Magellanic Clouds, and the Magellanic Bridge (MBR). This system contains a diverse sample of star clusters. Their parameters, such as the spatial distribution, chemical composition and age distribution yield important information about the formation scenario of the whole Magellanic System. Using deep photometric maps compiled in the fourth phase of the Optical Gravitational Lensing Experiment (OGLE-IV) we present the most complete catalog of star clusters in the Magellanic System ever constructed from homogeneous, long time-scale photometric data. In this second paper of the series, we show the collection of star clusters found in the area of about 360 square degrees in the MBR and in the outer regions of the SMC. Our sample contains 198 visually identified star cluster candidates, 75 of which were not listed in any of the previously published catalogs. The new discoveries are mainly young small open clusters or clusters similar to associations.

Screening of Wheat Genotypes for Boron Efficiency in Bangladesh

USDA-ARS?s Scientific Manuscript database

A number of Bangladeshi wheat genotypes (varieties and advanced lines) have been tested for boron efficiency through sand culture experiments over two years (2007-08 & 2008-09) against two Thai check varieties ‘Fang 60’ (boron efficient) and ‘SW41’ (boron inefficient). Performances of the genotypes ...

40 CFR 68.130 - List of substances.

Code of Federal Regulations, 2014 CFR

2014-07-01

...,000 a, b Arsenous trichloride 7784-34-1 15,000 b Arsine 7784-42-1 1,000 b Boron trichloride [Borane, trichloro-] 10294-34-5 5,000 b Boron trifluoride [Borane, trifluoro-] 7637-07-2 5,000 b Boron trifluoride compound with methyl ether (1:1) [Boron, trifluoro [oxybis [metane

40 CFR 68.130 - List of substances.

Code of Federal Regulations, 2012 CFR

2012-07-01

...,000 a, b Arsenous trichloride 7784-34-1 15,000 b Arsine 7784-42-1 1,000 b Boron trichloride [Borane, trichloro-] 10294-34-5 5,000 b Boron trifluoride [Borane, trifluoro-] 7637-07-2 5,000 b Boron trifluoride compound with methyl ether (1:1) [Boron, trifluoro [oxybis [metane

40 CFR 68.130 - List of substances.

Code of Federal Regulations, 2013 CFR

2013-07-01

...,000 a, b Arsenous trichloride 7784-34-1 15,000 b Arsine 7784-42-1 1,000 b Boron trichloride [Borane, trichloro-] 10294-34-5 5,000 b Boron trifluoride [Borane, trifluoro-] 7637-07-2 5,000 b Boron trifluoride compound with methyl ether (1:1) [Boron, trifluoro [oxybis [metane

40 CFR 68.130 - List of substances.

Code of Federal Regulations, 2010 CFR

2010-07-01

...,000 a, b Arsenous trichloride 7784-34-1 15,000 b Arsine 7784-42-1 1,000 b Boron trichloride [Borane, trichloro-] 10294-34-5 5,000 b Boron trifluoride [Borane, trifluoro-] 7637-07-2 5,000 b Boron trifluoride compound with methyl ether (1:1) [Boron, trifluoro [oxybis [metane

40 CFR 68.130 - List of substances.

Code of Federal Regulations, 2011 CFR

2011-07-01

...,000 a, b Arsenous trichloride 7784-34-1 15,000 b Arsine 7784-42-1 1,000 b Boron trichloride [Borane, trichloro-] 10294-34-5 5,000 b Boron trifluoride [Borane, trifluoro-] 7637-07-2 5,000 b Boron trifluoride compound with methyl ether (1:1) [Boron, trifluoro [oxybis [metane

Adsorption and Formation of Small Na Clusters on Pristine and Double-Vacancy Graphene for Anodes of Na-Ion Batteries.

PubMed

Liang, Zhicong; Fan, Xiaofeng; Zheng, Weitao; Singh, David J

2017-05-24

Layered carbon is a likely anode material for Na-ion batteries (NIBs). Graphitic carbon has a low capacity of approximately 35 (mA h)/g due to the formation of NaC 64 . Using first-principles methods including van der Waals interactions, we analyze the adsorption of Na ions and clusters on graphene in the context of anodes. The interaction between Na ions and graphene is found to be weak. Small Na clusters are not stable on the surface of pristine graphene in the electrochemical environment of NIBs. However, we find that Na ions and clusters can be stored effectively on defected graphene that has double vacancies. In addition, the adsorption energy of small Na clusters near a double vacancy is found to decrease with increasing cluster size. With high concentrations of vacancies the capacity of Na on defective graphene is found to be as much as 10-30 times higher than that of graphitic carbon.

Clustering Methods with Qualitative Data: A Mixed Methods Approach for Prevention Research with Small Samples

PubMed Central

Henry, David; Dymnicki, Allison B.; Mohatt, Nathaniel; Allen, James; Kelly, James G.

2016-01-01

Qualitative methods potentially add depth to prevention research, but can produce large amounts of complex data even with small samples. Studies conducted with culturally distinct samples often produce voluminous qualitative data, but may lack sufficient sample sizes for sophisticated quantitative analysis. Currently lacking in mixed methods research are methods allowing for more fully integrating qualitative and quantitative analysis techniques. Cluster analysis can be applied to coded qualitative data to clarify the findings of prevention studies by aiding efforts to reveal such things as the motives of participants for their actions and the reasons behind counterintuitive findings. By clustering groups of participants with similar profiles of codes in a quantitative analysis, cluster analysis can serve as a key component in mixed methods research. This article reports two studies. In the first study, we conduct simulations to test the accuracy of cluster assignment using three different clustering methods with binary data as produced when coding qualitative interviews. Results indicated that hierarchical clustering, K-Means clustering, and latent class analysis produced similar levels of accuracy with binary data, and that the accuracy of these methods did not decrease with samples as small as 50. Whereas the first study explores the feasibility of using common clustering methods with binary data, the second study provides a “real-world” example using data from a qualitative study of community leadership connected with a drug abuse prevention project. We discuss the implications of this approach for conducting prevention research, especially with small samples and culturally distinct communities. PMID:25946969

Clustering Methods with Qualitative Data: a Mixed-Methods Approach for Prevention Research with Small Samples.

PubMed

Henry, David; Dymnicki, Allison B; Mohatt, Nathaniel; Allen, James; Kelly, James G

2015-10-01

Qualitative methods potentially add depth to prevention research but can produce large amounts of complex data even with small samples. Studies conducted with culturally distinct samples often produce voluminous qualitative data but may lack sufficient sample sizes for sophisticated quantitative analysis. Currently lacking in mixed-methods research are methods allowing for more fully integrating qualitative and quantitative analysis techniques. Cluster analysis can be applied to coded qualitative data to clarify the findings of prevention studies by aiding efforts to reveal such things as the motives of participants for their actions and the reasons behind counterintuitive findings. By clustering groups of participants with similar profiles of codes in a quantitative analysis, cluster analysis can serve as a key component in mixed-methods research. This article reports two studies. In the first study, we conduct simulations to test the accuracy of cluster assignment using three different clustering methods with binary data as produced when coding qualitative interviews. Results indicated that hierarchical clustering, K-means clustering, and latent class analysis produced similar levels of accuracy with binary data and that the accuracy of these methods did not decrease with samples as small as 50. Whereas the first study explores the feasibility of using common clustering methods with binary data, the second study provides a "real-world" example using data from a qualitative study of community leadership connected with a drug abuse prevention project. We discuss the implications of this approach for conducting prevention research, especially with small samples and culturally distinct communities.

Synthesis and in vitro evaluation of thiododecaborated α, α- cycloalkylamino acids for the treatment of malignant brain tumors by boron neutron capture therapy.

PubMed

Hattori, Yoshihide; Kusaka, Shintaro; Mukumoto, Mari; Ishimura, Miki; Ohta, Yoichiro; Takenaka, Hiroshi; Uehara, Kouki; Asano, Tomoyuki; Suzuki, Minoru; Masunaga, Shin-Ichiro; Ono, Koji; Tanimori, Shinji; Kirihata, Mitsunori

2014-12-01

Boron-neutron capture therapy (BNCT) is an attractive technique for cancer treatment. As such, α, α-cycloalkyl amino acids containing thiododecaborate ([B12H11](2-)-S-) units were designed and synthesized as novel boron delivery agents for BNCT. In the present study, new thiododecaborate α, α-cycloalkyl amino acids were synthesized, and biological evaluation of the boron compounds as boron carrier for BNCT was carried out.

Retrospective Study of Selected DoD Materials and Structures Research and Development Programs. Phase 1. Case History Data Collection

DTIC Science & Technology

1979-03-01

made in continuous form by reducing boron trichloride with hydrogen and depositing the elemental boron formed on an electrically heated, continuously...filament take-up unit. A stoichio- metric mixture of boron trichloride and hydrogen is introduced at the top of the reactor. These react at the surface of...fibers are tungsten wire, boron trichloride , and hydrogen gas. The fine diameter tungsten wire on which boron is deposited is an imported product and is

THE BORON-CURCUMIN COMPLEX IN THE DETERMINATION OF TRACE AMOUNTS OF BORON

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

Hayes, M.R.; Metcalfe, J.

1962-12-01

A simple and robust method is described for the formation of the complex of boron with curcumin. The sensitivity of the method is 8.0 to 8.5 x 10/sup -5/ mu g per sq. cm by Sandell's definition. Formation of the complex is believed to be quartitative under the conditions used, and some evidence is given for a ratio of boron to curcumin of 1 to 3. Methods are outlined for determining boron in some metals, compounds, and organic materials. (auth)

Free-standing polycrystalline boron phosphide film and method for production thereof

DOEpatents

Baughman, R.J.; Ginley, D.S.

1982-09-09

A process for producing a free-standing polycrystalline boron phosphide film comprises growing a film of boron phosphide in a vertical growth apparatus on a metal substrate. The metal substrate has a coefficient of thermal expansion sufficiently different from that of boron phosphide that the film separates cleanly from the substrate upon cooling thereof, and the substrate is preferably titanium. The invention also comprises a free-standing polycrystalline boron phosphide film for use in electronic device fabrication.

Mineral resource of the month: boron

USGS Publications Warehouse

Crangle, Robert D.

2012-01-01

The article offers information on the mineral, boron. Boron compounds, particularly borates, have more commercial applications than its elemental relative which is a metalloid. Making up the 90% of the borates that are used worldwide are colemanite, kernite, tincal, and ulexite. The main borate deposits are located in the Mojave Desert of the U.S., the Tethyan belt in southern Asia, and the Andean belt of South America. Underground and surface mining are being used in gathering boron compounds. INSETS: Fun facts;Boron production and consumption.

Protodeboronation of ortho- and para-phenol boronic acids and application to ortho and meta functionalization of phenols using boronic acids as blocking and directing groups.

PubMed

Lee, Chun-Young; Ahn, Su-Jin; Cheon, Cheol-Hong

2013-12-06

The first metal-free thermal protodeboronation of ortho- and para-phenol boronic acids in DMSO was developed. The protodeboronation was successfully applied to the synthesis of ortho- and meta-functionalized phenols using the boronic acid moiety as a blocking group and a directing group, respectively. Mechanistic studies suggested that this protodeboronation proceeds through the coordination of water to the boron atom followed by σ-bond metathesis.

Effect of composition and austenite deformation on the transformation characteristics of low-carbon and ultralow-carbon microalloyed steels

NASA Astrophysics Data System (ADS)

Cizek, P.; Wynne, B. P.; Davies, C. H. J.; Muddle, B. C.; Hodgson, P. D.

2002-05-01

Deformation dilatometry has been used to simulate controlled hot rolling followed by controlled cooling of a group of low- and ultralow-carbon microalloyed steels containing additions of boron and/or molybdenum to enhance hardenability. Each alloy was subjected to simulated recrystallization and nonrecrystallization rolling schedules, followed by controlled cooling at rates from 0.1 °C/s to about 100 °C/s, and the corresponding continuous-cooling-transformation (CCT) diagrams were constructed. The resultant microstructures ranged from polygonal ferrite (PF) for combinations of slow cooling rates and low alloying element contents, through to bainitic ferrite accompanied by martensite for fast cooling rates and high concentrations of alloying elements. Combined additions of boron and molybdenum were found to be most effective in increasing steel hardenability, while boron was significantly more effective than molybdenum as a single addition, especially at the ultralow carbon content. Severe plastic deformation of the parent austenite (>0.45) markedly enhanced PF formation in those steels in which this microstructural constituent was formed, indicating a significant effective decrease in their hardenability. In contrast, in those steels in which only nonequilibrium ferrite microstructures were formed, the decreases in hardenability were relatively small, reflecting the lack of sensitivity to strain in the austenite of those microstructural constituents forming in the absence of PF.

Morphological Transition in Diamond Thin-Films Induced by Boron in a Microwave Plasma Deposition Process.

PubMed

Baker, Paul A; Goodloe, David R; Vohra, Yogesh K

2017-11-14

The purpose of this study is to understand the basic mechanisms responsible for the synthesis of nanostructured diamond films in a microwave plasma chemical vapor deposition (MPCVD) process and to identify plasma chemistry suitable for controlling the morphology and electrical properties of deposited films. The nanostructured diamond films were synthesized by MPCVD on Ti-6Al-4V alloy substrates using H₂/CH₄/N₂ precursor gases and the plasma chemistry was monitored by the optical emission spectroscopy (OES). The synthesized thin-films were characterized by x -ray diffraction and scanning electron microscopy. The addition of B₂H₆ to the feedgas during MPCVD of diamond thin-films changes the crystal grain size from nanometer to micron scale. Nanostructured diamond films grown with H₂/CH₄/N₂ gases demonstrate a broad (111) Bragg x -ray diffraction peak (Full-Width at Half-Maximum (FWHM) = 0.93° 2θ), indicating a small grain size, whereas scans show a definite sharpening of the diamond (111) peak (FWHM = 0.30° 2θ) with the addition of boron. OES showed a decrease in CN (carbon-nitrogen) radical in the plasma with B₂H₆ addition to the gas mixture. Our study indicates that CN radical plays a critical role in the synthesis of nanostructured diamond films and suppression of CN radical by boron-addition in the plasma causes a morphological transition to microcrystalline diamond.

Enriched Boron-Doped Amorphous Selenium Based Position-Sensitive Solid-State Thermal Neutron Detector for MPACT Applications

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

Mandal, Krishna

High-efficiency thermal neutron detectors with compact size, low power-rating and high spatial, temporal and energy resolution are essential to execute non-proliferation and safeguard protocols. The demands of such detector are not fully covered by the current detection system such as gas proportional counters or scintillator-photomultiplier tube combinations, which are limited by their detection efficiency, stability of response, speed of operation, and physical size. Furthermore, world-wide shortage of 3He gas, required for widely used gas detection method, has further prompted to design an alternative system. Therefore, a solid-state neutron detection system without the requirement of 3He will be very desirable. Tomore » address the above technology gap, we had proposed to develop new room temperature solidstate thermal neutron detectors based on enriched boron ( 10B) and enriched lithium ( 6Li) doped amorphous Se (As- 0.52%, Cl 5 ppm) semiconductor for MPACT applications. The proposed alloy materials have been identified for its many favorable characteristics - a wide bandgap (~2.2 eV at 300 K) for room temperature operation, high glass transition temperature (t g ~ 85°C), a high thermal neutron cross-section (for boron ~ 3840 barns, for lithium ~ 940 barns, 1 barn = 10 -24 cm 2), low effective atomic number of Se for small gamma ray sensitivity, and high radiation tolerance due to its amorphous structure.« less

Dispersible shortened boron nitride nanotubes with improved molecule-loading capacity.

PubMed

Zhi, Chunyi; Hanagata, Nobutaka; Bando, Yoshio; Golberg, Dmitri

2011-09-05

The oxidation process of boron nitride nanotubes was thoroughly investigated, and a slow oxidation characteristic was clearly revealed. Subsequently, the controllable oxidation process was utilized to break the sturdy structure of the boron nitride nanotubes to fabricate shortened nanotubes. The shortened boron nitride nanotubes were found to possess good solubility in water and many organic solvents. Further experiments demonstrated remarkably improved molecule-loading capacity of the shortened boron nitride nanotubes. These dispersible shortened boron nitride nanotubes might have the potential to be developed as effective delivery systems for various molecules, which may find applications in bio-related fields. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Magnetron sputtered boron films for increasing hardness of a metal surface

DOEpatents

Makowiecki, Daniel M [Livermore, CA; Jankowski, Alan F [Livermore, CA

2003-05-27

A method is described for the production of thin boron and titanium/boron films by magnetron sputter deposition. The amorphous boron films contain no morphological growth features, unlike those found when thin films are prepared by various physical vapor deposition processes. Magnetron sputter deposition method requires the use of a high density crystalline boron sputter target which is prepared by hot isostatic pressing. Thin boron films prepared by this method are useful for producing hardened surfaces, surfacing machine tools, etc. and for ultra-thin band pass filters as well as the low Z element in low Z/high Z optical components, such as mirrors which enhance reflectivity from grazing to normal incidence.

Biodistribution of boron after intravenous 4-dihydroxyborylphenylalanine-fructose (BPA-F) infusion in meningioma and schwannoma patients: A feasibility study for boron neutron capture therapy.

PubMed

Kulvik, Martti; Kallio, Merja; Laakso, Juha; Vähätalo, Jyrki; Hermans, Raine; Järviluoma, Eija; Paetau, Anders; Rasilainen, Merja; Ruokonen, Inkeri; Seppälä, Matti; Jääskeläinen, Juha

2015-12-01

We studied the uptake of boron after 100 mg/kg BPA infusion in three meningioma and five schwannoma patients as a pre-BNCT feasibility study. With average tumour-to-whole blood boron concentrations of 2.5, we discuss why BNCT could, and probably should, be developed to treat severe forms of the studied tumours. However, analysing 72 tumour and 250 blood samples yielded another finding: the plasma-to-whole blood boron concentrations varied with time, suggesting that the assumed constant boron ratio of 1:1 between normal brain tissue and whole blood deserves re-assessment. Copyright © 2015 Elsevier Ltd. All rights reserved.

Thermal expansion of boron subnitrides

NASA Astrophysics Data System (ADS)

Cherednichenko, Kirill A.; Gigli, Lara; Solozhenko, Vladimir L.

2018-07-01

The lattice parameters of two boron subnitrides, B13N2 and B50N2, have been measured as a function of temperature between 298 and 1273 K, and the corresponding thermal expansion coefficients have been determined. Thermal expansion of both boron subnitrides was found to be quasi-linear, and the volume thermal expansion coefficients of B50N2 (15.7 (2) × 10-6 K-1) and B13N2 (21.3 (2) × 10-6 K-1) are of the same order of magnitude as those of boron-rich compounds with structure related to α-rhombohedral boron. For both boron subnitrides no temperature-induced phase transitions have been observed in the temperature range under study.