Method to improve lubricity of low-sulfur diesel and gasoline fuels

DOEpatents

Erdemir, Ali

2004-08-31

A method for providing lubricity in fuels and lubricants includes adding a boron compound to a fuel or lubricant to provide a boron-containing fuel or lubricant. The fuel or lubricant may contain a boron compound at a concentration between about 30 ppm and about 3,000 ppm and a sulfur concentration of less than about 500 ppm. A method of powering an engine to minimize wear, by burning a fuel containing boron compounds. The boron compounds include compound that provide boric acid and/or BO.sub.3 ions or monomers to the fuel or lubricant.

Porphyrins for boron neutron capture therapy

DOEpatents

Miura, Michiko; Gabel, Detlef

1990-01-01

Novel compounds for treatment of brain tumors in Boron Neutron Capture Therapy are disclosed. A method for preparing the compounds as well as pharmaceutical compositions containing said compounds are also disclosed. The compounds are water soluble, non-toxic and non-labile boronated porphyrins which show significant uptake and retention in tumors.

Phenyl boron-based compounds as anion receptors for non-aqueous battery electrolytes

DOEpatents

Lee, Hung Sui; Yang, Xiao-Qing; McBreen, James; Sun, Xuehui

2002-01-01

Novel fluorinated boronate-based compounds which act as anion receptors in non-aqueous battery electrolytes are provided. When added to non-aqueous battery electrolytes, the fluorinated boronate-based compounds of the invention enhance ionic conductivity and cation transference number of non-aqueous electrolytes. The fluorinated boronate-based anion receptors include different fluorinated alkyl and aryl groups.

Energy efficient synthesis of boranes

DOEpatents

Thorn, David L [Los Alamos, NM; Tumas, William [Los Alamos, NM; Schwarz, Daniel E [Los Alamos, NM; Burrell, Anthony K [Los Alamos, NM

2012-01-24

The reaction of halo-boron compounds (B--X compounds, compounds having one or more boron-halogen bonds) with silanes provides boranes (B--H compounds, compounds having one or more B--H bonds) and halosilanes. Inorganic hydrides, such as surface-bound silane hydrides (Si--H) react with B--X compounds to form B--H compounds and surface-bound halosilanes. The surface bound halosilanes are converted back to surface-bound silanes electrochemically. Halo-boron compounds react with stannanes (tin compounds having a Sn--H bond) to form boranes and halostannanes (tin compounds having a Sn--X bond). The halostannanes are converted back to stannanes electrochemically or by the thermolysis of Sn-formate compounds. When the halo-boron compound is BCl.sub.3, the B--H compound is B.sub.2H.sub.6, and where the reducing potential is provided electrochemically or by the thermolysis of formate.

Energy efficient synthesis of boranes

DOEpatents

Thorn, David L.; Tumas, William; Schwarz, Daniel E.; Burrell, Anthony K.

2010-11-23

The reaction of halo-boron compounds (B--X compounds, compounds having one or more boron-halogen bonds) with silanes provides boranes (B--H compounds, compounds having one or more B--H bonds) and halosilanes. Inorganic hydrides, such as surface-bound silane hydrides (Si--H) react with B--X compounds to form B--H compounds and surface-bound halosilanes. The surface bound halosilanes are converted back to surface-bound silanes electrochemically. Halo-boron compounds react with stannanes (tin compounds having a Sn--H bond) to form boranes and halostannanes (tin compounds having a Sn--X bond). The halostannanes are converted back to stannanes electrochemically or by the thermolysis of Sn-formate compounds. When the halo-boron compound is BCl.sub.3, the B--H compound is B.sub.2H.sub.6, and where the reducing potential is provided electrochemically or by the thermolysis of formate.

Evaluation of new antimicrobial agents on Bacillus spp. strains: docking affinity and in vitro inhibition of glutamate-racemase.

PubMed

Tamay-Cach, Feliciano; Correa-Basurto, José; Villa-Tanaca, Lourdes; Mancilla-Percino, Teresa; Juárez-Montiel, Margarita; Trujillo-Ferrara, José G

2013-10-01

Three glutamic acid derivatives, two boron-containing and one imide-containing compound, were synthesized and tested for antimicrobial activity targeting glutamate-racemase. Antimicrobial effect was evaluated over Bacillus spp. Docking analysis shown that the test compounds bind near the active site of racemase isoforms, suggesting an allosteric effect. The boron derivatives had greater affinity than the imide derivative. In vitro assays shown good antimicrobial activity for the boron-containing compounds, and no effectiveness for the imide-containing compounds. The minimum inhibitory concentration of tetracycline, used as standard, was lower than that of the boron-containing derivatives. However, it seems that the boron-containing derivatives are more selective for bacteria. Experimental evidence suggests that the boron-containing derivatives act by inhibiting the racemase enzyme. Therefore, these test compounds probably impede the formation of the bacterial cell wall. Thus, the boron-containing glutamic acid derivatives should certainly be of interest for future studies as antimicrobial agents for Bacillus spp.

Boron containing amino acid compounds and methods for their use

DOEpatents

Glass, John D.; Coderre, Jeffrey A.

2000-01-01

The present invention provides new boron containing amino acid compounds and methods for making these compounds by contacting melphalan or another nitrogen mustard derivative and sodium borocaptate. The present invention also provides a method of treating a mammal having a tumor by administering to the mammal a therapeutically effective amount of the new boron containing amino acid compounds.

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.

2[prime] and 3[prime] Carboranyl uridines and their diethyl ether adducts

DOEpatents

Soloway, A.H.; Barth, R.F.; Anisuzzaman, A.K.; Alam, F.; Tjarks, W.

1992-12-15

A process is described for preparing carboranyl uridine nucleoside compounds and their diethyl ether adducts, which exhibit a tenfold increase in boron content over prior art boron containing nucleoside compounds. The carboranyl uridine nucleoside compounds exhibit enhanced lipophilicity and hydrophilic properties adequate to enable solvation in aqueous media for subsequent incorporation of the compounds in methods for boron neutron capture therapy in mammalian tumor cells. No Drawings

2' and 3' Carboranyl uridines and their diethyl ether adducts

DOEpatents

Soloway, Albert H.; Barth, Rolf F.; Anisuzzaman, Abul K.; Alam, Fazlul; Tjarks, Werner

1992-01-01

There is disclosed a process for preparing carboranyl uridine nucleoside compounds and their diethyl ether adducts, which exhibit a tenfold increase in boron content over prior art boron containing nucleoside compounds. Said carboranyl uridine nucleoside compounds exhibit enhanced lipophilicity and hydrophilic properties adequate to enable solvation in aqueous media for subsequent incorporation of said compounds in methods for boron neutron capture therapy in mammalian tumor cells.

Analysis of boron distribution in vivo for boron neutron capture therapy using two different boron compounds by secondary ion mass spectrometry.

PubMed

Yokoyama, Kunio; Miyatake, Shin-Ichi; Kajimoto, Yoshinaga; Kawabata, Shinji; Doi, Atsushi; Yoshida, Toshiko; Okabe, Motonori; Kirihata, Mitsunori; Ono, Koji; Kuroiwa, Toshihiko

2007-01-01

The efficiency of boron neutron capture therapy (BNCT) for malignant gliomas depends on the selective and absolute accumulation of (10)B atoms in tumor tissues. Only two boron compounds, BPA and BSH, currently can be used clinically. However, the detailed distributions of these compounds have not been determined. Here we used secondary ion mass spectrometry (SIMS) to determine the histological distribution of (10)B atoms derived from the boron compounds BSH and BPA. C6 tumor-bearing rats were given 500 mg/kg of BPA or 100 mg/kg of BSH intraperitoneally; 2.5 h later, their brains were sectioned and subjected to SIMS. In the main tumor mass, BPA accumulated heterogeneously, while BSH accumulated homogeneously. In the peritumoral area, both BPA and BSH accumulated measurably. Interestingly, in this area, BSH accumulated distinctively in a diffuse manner even 800 microm distant from the interface between the main tumor and normal brain. In the contralateral brain, BPA accumulated measurably, while BSH did not. In conclusion, both BPA and BSH each have advantages and disadvantages. These compounds are considered to be essential as boron delivery agents independently for clinical BNCT. There is some rationale for the simultaneous use of both compounds in clinical BNCT for malignant gliomas.

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

Hawthorne, M.F.

The boronated liposome development and evaluation effort consists of two separate tasks. The first is the development of new boron compounds and the synthesis of known boron species with BNCT potential. These compounds are then encapsulated within liposomes for the second task, biodistribution testing in tumor-bearing mice, which examines the potential for the liposomes and their contents to concentrate boron in cancerous tissues.

Boron neutron capture therapy demonstrated in mice bearing EMT6 tumors following selective delivery of boron by rationally designed liposomes

PubMed Central

Kueffer, Peter J.; Maitz, Charles A.; Khan, Aslam A.; Schuster, Seth A.; Shlyakhtina, Natalia I.; Jalisatgi, Satish S.; Brockman, John D.; Nigg, David W.; Hawthorne, M. Frederick

2013-01-01

The application of boron neutron capture therapy (BNCT) following liposomal delivery of a 10B-enriched polyhedral borane and a carborane against mouse mammary adenocarcinoma solid tumors was investigated. Unilamellar liposomes with a mean diameter of 134 nm or less, composed of an equimolar mixture of cholesterol and 1,2-distearoyl-sn-glycero-3-phosphocholine and incorporating Na3[1-(2′-B10H9)-2-NH3B10H8] in the aqueous interior and K[nido-7-CH3(CH2)15-7,8-C2B9H11] in the bilayer, were injected into the tail veins of female BALB/c mice bearing right flank EMT6 tumors. Biodistribution studies indicated that two identical injections given 24 h apart resulted in tumor boron levels exceeding 67 µg/g tumor at 54 h—with tumor/blood boron ratios being greatest at 96 h (5.68:1; 43 µg boron/g tumor)—following the initial injection. For BNCT experiments, tumor-bearing mice were irradiated 54 h after the initial injection for 30 min with thermal neutrons, resulting in a total fluence of 1.6 × 1012 neutrons per cm2 (±7%). Significant suppression of tumor growth was observed in mice given BNCT vs. control mice (only 424% increase in tumor volume at 14 d post irradiation vs. 1551% in untreated controls). In a separate experiment in which mice were given a second injection/irradiation treatment 7 d after the first, the tumor growth was vastly diminished (186% tumor volume increase at 14 d). A similar response was obtained for mice irradiated for 60 min (169% increase at 14 d), suggesting that neutron fluence was the limiting factor controlling BNCT efficacy in this study. PMID:23536304

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.

Preparation of polyhedral oligomeric silsesquioxane based hybrid monoliths by ring-opening polymerization for capillary LC and CEC.

PubMed

Lin, Hui; Zhang, Zhenbin; Dong, Jing; Liu, Zhongshan; Ou, Junjie; Zou, Hanfa

2013-09-01

A new organic-inorganic hybrid monolith was prepared by the ring-opening polymerization of octaglycidyldimethylsilyl polyhedral oligomeric silsesquioxane (POSS) with 1,4-butanediamine (BDA) using 1-propanol, 1,4-butanediol, and PEG 10,000 as a porogenic system. Benefiting from the moderate phase separation process, the resulting poly(POSS-co-BDA) hybrid monolith possessed a uniform microstructure and exhibited excellent performance in chromatographic applications. Neutral, acidic, and basic compounds were successfully separated on the hybrid monolith in capillary LC (cLC), and high column efficiencies were achieved in all of the separations. In addition, as the amino groups could generate a strong EOF, the hybrid monolith was also applied in CEC for the separation of neutral and polar compounds, and a satisfactory performance was obtained. These results demonstrate that the poly(POSS-co-BDA) hybrid monolith is a good separation media in chromatographic separations of various types of compounds by both cLC and CEC. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Metal-Element Compounds of Titanium, Zirconium, and Hafnium as Pyrotechnic Fuels

DTIC Science & Technology

2015-05-04

including ceramic materials in this role has been far less common. Following the development of boron carbide-based pyrotechnics in our laboratories, we...ameliorate these problems. Commercially available group 4 compounds containing hydrogen, boron , carbon, nitrogen, silicon, and phosphorus were obtained for...predicted behavior suggests that these compounds may be useful for a variety of pyrotechnic applications. 1. INTRODUCTION The recent use of boron

Deficiency of Starch Synthase IIIa and IVb Alters Starch Granule Morphology from Polyhedral to Spherical in Rice Endosperm1

PubMed Central

Toyosawa, Yoshiko; Kawagoe, Yasushi; Matsushima, Ryo; Ogawa, Masahiro; Fukuda, Masako; Kumamaru, Toshihiro; Okazaki, Yozo; Kusano, Miyako; Saito, Kazuki; Toyooka, Kiminori; Sato, Mayuko; Ai, Yongfeng; Fujita, Naoko

2016-01-01

Starch granule morphology differs markedly among plant species. However, the mechanisms controlling starch granule morphology have not been elucidated. Rice (Oryza sativa) endosperm produces characteristic compound-type granules containing dozens of polyhedral starch granules within an amyloplast. Some other cereal species produce simple-type granules, in which only one starch granule is present per amyloplast. A double mutant rice deficient in the starch synthase (SS) genes SSIIIa and SSIVb (ss3a ss4b) produced spherical starch granules, whereas the parental single mutants produced polyhedral starch granules similar to the wild type. The ss3a ss4b amyloplasts contained compound-type starch granules during early developmental stages, and spherical granules were separated from each other during subsequent amyloplast development and seed dehydration. Analysis of glucan chain length distribution identified overlapping roles for SSIIIa and SSIVb in amylopectin chain synthesis, with a degree of polymerization of 42 or greater. Confocal fluorescence microscopy and immunoelectron microscopy of wild-type developing rice seeds revealed that the majority of SSIVb was localized between starch granules. Therefore, we propose that SSIIIa and SSIVb have crucial roles in determining starch granule morphology and in maintaining the amyloplast envelope structure. We present a model of spherical starch granule production. PMID:26747287

Neutron absorbing room temperature vulcanizable silicone rubber compositions

DOEpatents

Zoch, Harold L.

1979-11-27

A neutron absorbing composition comprising a one-component room temperature vulcanizable silicone rubber composition or a two-component room temperature vulcanizable silicone rubber composition in which the composition contains from 25 to 300 parts by weight based on the base silanol or vinyl containing diorganopolysiloxane polymer of a boron compound or boron powder as the neutron absorbing ingredient. An especially useful boron compound in this application is boron carbide.

Halogenated sulfidohydroboranes for nuclear medicine and boron neutron capture therapy

DOEpatents

Miura, Michiko; Slatkin, Daniel N.

1997-03-18

A method for performing boron neutron capture therapy for the treatment of tumors is disclosed. The method includes administering to a patient an iodinated sulfidohydroborane, a boron-10-containing compound. The site of the tumor is localized by visualizing the increased concentration of the iodine labelled compound at the tumor. The targeted tumor is then irradiated with a beam of neutrons having an energy distribution effective for neutron capture. Destruction of the tumor occurs due to high LET particle irradiation of the tissue secondary to the incident neutrons being captured by the boron-10 nuclei. Iodinated sulfidohydroboranes are disclosed which are especially suitable for the method of the invention. In a preferred embodiment, a compound having the formula Na.sub.4 B.sub.12 I.sub.11 SSB.sub.12 I.sub.11, or another pharmaceutically acceptable salt of the compound, may be administered to a cancer patient for boron neutron capture therapy.

Halogenated sulfidohydroboranes for nuclear medicine and boron neutron capture therapy

DOEpatents

Miura, Michiko; Slatkin, Daniel N.

1995-10-03

A method for performing boron neutron capture therapy for the treatment of tumors is disclosed. The method includes administering to a patient an iodinated sulfidohydroborane, a boron-10-containing compound. The site of the tumor is localized by visualizing the increased concentration of the iodine labelled compound at the tumor. The targeted tumor is then irradiated with a beam of neutrons having an energy distribution effective for neutron capture. Destruction of the tumor occurs due to high LET particle irradiation of the tissue secondary to the incident neutrons being captured by the boron-10 nuclei. Iodinated sulfidohydroboranes are disclosed which are especially suitable for the method of the invention. In a preferred embodiment, a compound having the formula Na.sub.4 B.sub.12 I.sub.11 SSB.sub.12 I.sub.11, or another pharmaceutically acceptable salt of the compound, may be administered to a cancer patient for boron neutron capture therapy.

Halogenated sulfidohydroboranes for nuclear medicine and boron neutron capture therapy

DOEpatents

Miura, Michiko; Slatkin, Daniel N.

1997-08-05

A method for performing boron neutron capture therapy for the treatment of tumors is disclosed. The method includes administering to a patient an iodinated sulfidohydroborane, a boron-10-containing compound. The site of the tumor is localized. by visualizing the increased concentration of the iodine labelled compound at the tumor. The targeted tumor is then irradiated with a beam of neutrons having an energy distribution effective for neutron capture. Destruction of the tumor occurs due to high LET particle irradiation of the tissue secondary to the incident neutrons being captured by the boron-10 nuclei. Iodinated sulfidohydroboranes are disclosed which are especially suitable for the method of the invention. In a preferred embodiment, a compound having the formula Na.sub.4 B.sub.12 I.sub.11 SSB.sub.12 I.sub.11, or another pharmaceutically acceptable salt of the compound, may be administered to a cancer patient for boron neutron capture therapy.

Halogenated sulfidohydroboranes for nuclear medicine and boron neutron capture therapy

DOEpatents

Miura, M.; Slatkin, D.N.

1995-10-03

A method for performing boron neutron capture therapy for the treatment of tumors is disclosed. The method includes administering to a patient an iodinated sulfidohydroborane, a boron-10-containing compound. The site of the tumor is localized by visualizing the increased concentration of the iodine labelled compound at the tumor. The targeted tumor is then irradiated with a beam of neutrons having an energy distribution effective for neutron capture. Destruction of the tumor occurs due to high LET particle irradiation of the tissue secondary to the incident neutrons being captured by the boron-10 nuclei. Iodinated sulfidohydroboranes are disclosed which are especially suitable for the method of the invention. In a preferred embodiment, a compound having the formula Na{sub 4}B{sub 12}I{sub 11}SSB{sub 12}I{sub 11}, or another pharmaceutically acceptable salt of the compound, may be administered to a cancer patient for boron neutron capture therapy. 1 fig.

Halogenated sulfidohydroboranes for nuclear medicine and boron neutron capture therapy

DOEpatents

Miura, M.; Slatkin, D.N.

1997-03-18

A method for performing boron neutron capture therapy for the treatment of tumors is disclosed. The method includes administering to a patient an iodinated sulfidohydroborane, a boron-10-containing compound. The site of the tumor is localized by visualizing the increased concentration of the iodine labelled compound at the tumor. The targeted tumor is then irradiated with a beam of neutrons having an energy distribution effective for neutron capture. Destruction of the tumor occurs due to high LET particle irradiation of the tissue secondary to the incident neutrons being captured by the boron-10 nuclei. Iodinated sulfidohydroboranes are disclosed which are especially suitable for the method of the invention. In a preferred embodiment, a compound having the formula Na{sub 4}B{sub 12}I{sub 11}SSB{sub 12}I{sub 11}, or another pharmaceutically acceptable salt of the compound, may be administered to a cancer patient for boron neutron capture therapy. 1 fig.

Halogenated sulfidohydroboranes for nuclear medicine and boron neutron capture therapy

DOEpatents

Miura, M.; Slatkin, D.N.

1997-08-05

A method for performing boron neutron capture therapy for the treatment of tumors is disclosed. The method includes administering to a patient an iodinated sulfidohydroborane, a boron-10-containing compound. The site of the tumor is localized by visualizing the increased concentration of the iodine labelled compound at the tumor. The targeted tumor is then irradiated with a beam of neutrons having an energy distribution effective for neutron capture. Destruction of the tumor occurs due to high LET particle irradiation of the tissue secondary to the incident neutrons being captured by the boron-10 nuclei. Iodinated sulfidohydroboranes are disclosed which are especially suitable for the method of the invention. In a preferred embodiment, a compound having the formula Na{sub 4}B{sub 12}I{sub 11}SSB{sub 12}I{sub 11}, or another pharmaceutically acceptable salt of the compound, may be administered to a cancer patient for boron neutron capture therapy. 1 fig.

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.

Utility of Boron in Dermatology.

PubMed

Jackson, David G; Cardwell, Leah A; Oussedik, Elias; Feldman, Steven R

2017-08-09

Boron compounds are being investigated as therapies for dermatologic conditions. Several features of boron chemistry make this element an ideal component in dermatologic treatments. We review the published dermatologically-relevant clinical trials and case studies pertaining to boron compounds. PubMed was utilized to query terms boron, chemistry, drug, development, dermatology, atopic dermatitis, psoriasis, onychomycosis, tavaborole, AN 2690, crisaborole, and AN 2728. Clinical trials, case studies, animal studies and in vitro studies. pertaining to atopic dermatitis, psoriasis and onychomycosis were included. Crisaborole 2% topical solution reduced atopic dermatitis lesions by approximately 60% when compared to pre-treatment baseline. Crisaborole maintains its dose-dependent effect in treatment of psoriasis and significantly reduces psoriatic plaques when compared to controls. Adverse effects were mild, frequency of events varied between studies. Crisaborole was well tolerated when applied to sensitive skin. Topical tavaborole significantly reduced or eliminated onychomycosis with minimal side effects compared to placebo. Tavaborole was effective in treating recalcitrant onychomycosis. Boron-based compounds form stable interactions with enzyme targets and are safe medications for the treatment of atopic dermatitis, psoriasis, and onychomycosis. The mild and rare side effects of topical boron-based compounds may make them ideal treatments for individuals with sensitive skin and pediatric populations.

Boronate probes as diagnostic tools for real time monitoring of peroxynitrite and hydroperoxides

PubMed Central

Zielonka, Jacek; Sikora, Adam; Hardy, Micael; Joseph, Joy; Dranka, Brian P.; Kalyanaraman, Balaraman

2012-01-01

Boronates, a group of organic compounds, are emerging as one of the most effective probes for detecting and quantifying peroxynitrite, hypochlorous acid and hydrogen peroxide. Boronates react with peroxynitrite nearly a million times faster than with hydrogen peroxide. Boronate-containing fluorogenic compounds have been used to monitor real time generation of peroxynitrite in cells and for imaging hydrogen peroxide in living animals. This Perspective highlights potential applications of boronates and other fluorescent probes to high-throughput analyses of peroxynitrite and hydroperoxides in toxicological studies. PMID:22731669

One-Step Borylation of 1,3-Diaryloxybenzenes Towards Efficient Materials for Organic Light-Emitting Diodes.

PubMed

Hirai, Hiroki; Nakajima, Kiichi; Nakatsuka, Soichiro; Shiren, Kazushi; Ni, Jingping; Nomura, Shintaro; Ikuta, Toshiaki; Hatakeyama, Takuji

2015-11-09

The development of a one-step borylation of 1,3-diaryloxybenzenes, yielding novel boron-containing polycyclic aromatic compounds, is reported. The resulting boron-containing compounds possess high singlet-triplet excitation energies as a result of localized frontier molecular orbitals induced by boron and oxygen. Using these compounds as a host material, we successfully prepared phosphorescent organic light-emitting diodes exhibiting high efficiency and adequate lifetimes. Moreover, using the present one-step borylation, we succeeded in the synthesis of an efficient, thermally activated delayed fluorescence emitter and boron-fused benzo[6]helicene. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Therapeutic efficacy of boron neutron capture therapy mediated by boron-rich liposomes for oral cancer in the hamster cheek pouch model.

PubMed

Heber, Elisa M; Hawthorne, M Frederick; Kueffer, Peter J; Garabalino, Marcela A; Thorp, Silvia I; Pozzi, Emiliano C C; Monti Hughes, Andrea; Maitz, Charles A; Jalisatgi, Satish S; Nigg, David W; Curotto, Paula; Trivillin, Verónica A; Schwint, Amanda E

2014-11-11

The application of boron neutron capture therapy (BNCT) mediated by liposomes containing (10)B-enriched polyhedral borane and carborane derivatives for the treatment of head and neck cancer in the hamster cheek pouch oral cancer model is presented. These liposomes are composed of an equimolar ratio of cholesterol and 1,2-distearoyl-sn-glycero-3-phosphocholine, incorporating K[nido-7-CH3(CH2)15-7,8-C2B9H11] (MAC) in the bilayer membrane while encapsulating the hydrophilic species Na3[ae-B20H17NH3] (TAC) in the aqueous core. Unilamellar liposomes with a mean diameter of 83 nm were administered i.v. in hamsters. After 48 h, the boron concentration in tumors was 67 ± 16 ppm whereas the precancerous tissue contained 11 ± 6 ppm, and the tumor/normal pouch tissue boron concentration ratio was 10:1. Neutron irradiation giving a 5-Gy dose to precancerous tissue (corresponding to 21 Gy in tumor) resulted in an overall tumor response (OR) of 70% after a 4-wk posttreatment period. In contrast, the beam-only protocol gave an OR rate of only 28%. Once-repeated BNCT treatment with readministration of liposomes at an interval of 4, 6, or 8 wk resulted in OR rates of 70-88%, of which the complete response ranged from 37% to 52%. Because of the good therapeutic outcome, it was possible to extend the follow-up of BNCT treatment groups to 16 wk after the first treatment. No radiotoxicity to normal tissue was observed. A salient advantage of these liposomes was that only mild mucositis was observed in dose-limiting precancerous tissue with a sustained tumor response of 70-88%.

Therapeutic efficacy of boron neutron capture therapy mediated by boron-rich liposomes for oral cancer in the hamster cheek pouch model

PubMed Central

Heber, Elisa M.; Hawthorne, M. Frederick; Kueffer, Peter J.; Garabalino, Marcela A.; Thorp, Silvia I.; Pozzi, Emiliano C. C.; Hughes, Andrea Monti; Maitz, Charles A.; Jalisatgi, Satish S.; Nigg, David W.; Curotto, Paula; Trivillin, Verónica A.; Schwint, Amanda E.

2014-01-01

The application of boron neutron capture therapy (BNCT) mediated by liposomes containing 10B-enriched polyhedral borane and carborane derivatives for the treatment of head and neck cancer in the hamster cheek pouch oral cancer model is presented. These liposomes are composed of an equimolar ratio of cholesterol and 1,2-distearoyl-sn-glycero-3-phosphocholine, incorporating K[nido-7-CH3(CH2)15-7,8-C2B9H11] (MAC) in the bilayer membrane while encapsulating the hydrophilic species Na3[ae-B20H17NH3] (TAC) in the aqueous core. Unilamellar liposomes with a mean diameter of 83 nm were administered i.v. in hamsters. After 48 h, the boron concentration in tumors was 67 ± 16 ppm whereas the precancerous tissue contained 11 ± 6 ppm, and the tumor/normal pouch tissue boron concentration ratio was 10:1. Neutron irradiation giving a 5-Gy dose to precancerous tissue (corresponding to 21 Gy in tumor) resulted in an overall tumor response (OR) of 70% after a 4-wk posttreatment period. In contrast, the beam-only protocol gave an OR rate of only 28%. Once-repeated BNCT treatment with readministration of liposomes at an interval of 4, 6, or 8 wk resulted in OR rates of 70–88%, of which the complete response ranged from 37% to 52%. Because of the good therapeutic outcome, it was possible to extend the follow-up of BNCT treatment groups to 16 wk after the first treatment. No radiotoxicity to normal tissue was observed. A salient advantage of these liposomes was that only mild mucositis was observed in dose-limiting precancerous tissue with a sustained tumor response of 70–88%. PMID:25349432

BA321, a novel carborane analog that binds to androgen and estrogen receptors, acts as a new selective androgen receptor modulator of bone in male mice

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

Watanabe, Kenta; Cooperative Major in Advanced Health Science, Tokyo University of Agriculture and Technology, 2-24-16 Nakamachi, Koganei, Tokyo 184-8588; Hirata, Michiko

Carboranes are a class of carbon-containing polyhedral boron cluster compounds with globular geometry and hydrophobic surface that interact with hormone receptors such as estrogen receptor (ER) and androgen receptor (AR). We have synthesized BA321, a novel carborane compound, which binds to AR. We found here that it also binds to ERs, ERα and ERβ. In orchidectomized (ORX) mice, femoral bone mass was markedly reduced due to androgen deficiency and BA321 restored bone loss in the male, whilst the decreased weight of seminal vesicle in ORX mice was not recovered by administration of BA321. In female mice, BA321 acts as amore » pure estrogen agonist, and restored both the loss of bone mass and uterine atrophy due to estrogen deficiency in ovariectomized (OVX) mice. In bone tissues, the trabecular bone loss occurred in both ORX and OVX mice, and BA321 completely restored the trabecular bone loss in both sexes. Cortical bone loss occurred in ORX mice but not in OVX mice, and BA321 clearly restored cortical bone loss due to androgen deficiency in ORX mice. Therefore, BA321 is a novel selective androgen receptor modulator (SARM) that may offer a new therapy option for osteoporosis in the male. - Highlights: • A novel carborane compound BA321 binds to both AR and ERs, ERα and ERβ. • BA321 restores bone loss in orchidectomized mice without effects on sex organ. • BA321 acts as an estrogen agonist in bone and uterus in ovariectomized mice. • BA321 may be a new SARM to prevent the loss of musculoskeletal mass in elder men.« less

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

From the Test Tube to the Treatment Room: Fundamentals of Boron-containing Compounds and their Relevance to Dermatology.

PubMed

Del Rosso, James Q; Plattner, Jacob J

2014-02-01

The development of new drug classes and novel molecules that are brought to the marketplace has been a formidable challenge, especially for dermatologic drugs. The relative absence of new classes of antimicrobial agents is also readily apparent. Several barriers account for slow drug development, including regulatory changes, added study requirements, commercial pressures to bring drugs to market quickly by developing new generations of established compounds, and the greater potential for failure and higher financial risk when researching new drug classes. In addition, the return on investment is usually much lower with dermatologic drugs as compared to the potential revenue from "blockbuster" drugs for cardiovascular or gastrointestinal disease, hypercholesterolemia, and mood disorders. Nevertheless, some researchers are investigating new therapeutic platforms, one of which is boron-containing compounds. Boron-containing compounds offer a wide variety of potential applications in dermatology due to their unique physical and chemical properties, with several in formal phases of development. Tavaborole, a benzoxaborole compound, has been submitted to the United States Food and Drug Administration for approval for treatment of onychomycosis. This article provides a thorough overview of the history of boron-based compounds in medicine, their scientific rationale, physiochemical and pharmacologic properties, and modes of actions including therapeutic targets. A section dedicated to boron-based compounds in development for treatment of various skin disorders is also included.

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.

Beta cell device using icosahedral boride compounds

DOEpatents

Aselage, Terrence L.; Emin, David

2002-01-01

A beta cell for converting beta-particle energies into electrical energy having a semiconductor junction that incorporates an icosahedral boride compound selected from B.sub.12 As.sub.2, B.sub.12 P.sub.2, elemental boron having an .alpha.-rhombohedral structure, elemental boron having a .beta.-rhombohedral structure, and boron carbides of the chemical formula B.sub.12-x C.sub.3-x, where 0.15

Boron cage compound materials and composites for shielding and absorbing neutrons

DOEpatents

Bowen, III, Daniel E; Eastwood, Eric A

2014-03-04

Boron cage compound-containing materials for shielding and absorbing neutrons. The materials include BCC-containing composites and compounds. BCC-containing compounds comprise a host polymer and a BCC attached thereto. BCC-containing composites comprise a mixture of a polymer matrix and a BCC filler. The BCC-containing materials can be used to form numerous articles of manufacture for shielding and absorbing neutrons.

Investigation of the matrix effect in determining microimpurities in boron and its compounds by atomic-emission spectrometry

NASA Astrophysics Data System (ADS)

Lebedeva, R. V.; Tumanova, A. N.; Mashin, N. I.

2007-07-01

We carried out a systematic study of the influence of the main component on the change of analytical signal during atomic-emission analysis of boron compounds. Changes in the intensity of spectral lines of microimpurities as functions of their concentrations in the analytical system based on graphite powder with a variable content of boric acid and boron oxide are presented.

Boron and Compounds

Integrated Risk Information System (IRIS)

Boron and Compounds ; CASRN 7440 - 42 - 8 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinoge

Spectromicroscopy of boron in human glioblastomas following administration of Na2B12H11SH.

PubMed

Gilbert, B; Perfetti, L; Fauchoux, O; Redondo, J; Baudat, P A; Andres, R; Neumann, M; Steen, S; Gabel, D; Mercanti, D; Ciotti, M T; Perfetti, P; Margaritondo, G; De Stasio, G

2000-07-01

Boron neutron capture therapy (BNCT) is an experimental, binary treatment for brain cancer which requires as the first step that tumor tissue is targeted with a boron-10 containing compound. Subsequent exposure to a thermal neutron flux results in destructive, short range nuclear reaction within 10 microm of the boron compound. The success of the therapy requires than the BNCT agents be well localized in tumor, rather than healthy tissue. The MEPHISTO spectromicroscope, which performs microchemical analysis by x-ray absorption near edge structure (XANES) spectroscopy from microscopic areas, has been used to study the distribution of trace quantities of boron in human brain cancer tissues surgically removed from patients first administered with the compound Na2B12H11SH (BSH). The interpretation of XANES spectra is complicated by interference from physiologically present sulfur and phosphorus, which contribute structure in the same energy range as boron. We addressed this problem with the present extensive set of spectra from S, B, and P in relevant compounds. We demonstrate that a linear combination of sulfate, phosphate and BSH XANES can be used to reproduce the spectra acquired on boron-treated human brain tumor tissues. We analyzed human glioblastoma tissue from two patients administered and one not administered with BSH. As well as weak signals attributed to BSH, x-ray absorption spectra acquired from tissue samples detected boron in a reduced chemical state with respect to boron in BSH. This chemical state was characterized by a sharp absorption peak at 188.3 eV. Complementary studies on BSH reference samples were not able to reproduce this chemical state of boron, indicating that it is not an artifact produced during sample preparation or x-ray exposure. These data demonstrate that the chemical state of BSH may be altered by in vivo metabolism.

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

Effect of boron and phosphate compounds on physical, mechanical, and fire properties of wood-polypropylene composites

Treesearch

Nadir Ayrilmis; Turgay Akbulut; Turker Dundar; Robert H. White; Fatih Mengeloglu; Umit Buyuksari; Zeki Candan; Erkan Avci

2012-01-01

Physical, mechanical, and fire properties of the injection-molded wood flour/polypropylene composites incorporated with different contents of boron compounds; borax/boric acid and zinc borate, and phosphate compounds; mono and diammonium phosphates were investigated. The effect of the coupling agent content, maleic anhydride-grafted polypropylene, on the properties of...

Application of boronated anti-CEA immunoliposome to tumour cell growth inhibition in in vitro boron neutron capture therapy model.

PubMed Central

Yanagië, H.; Tomita, T.; Kobayashi, H.; Fujii, Y.; Takahashi, T.; Hasumi, K.; Nariuchi, H.; Sekiguchi, M.

1991-01-01

An immunoliposome containing a 10B-compound has been examined as a selective drug delivery system in boron neutron-capture therapy. Liposomes, conjugated with monoclonal antibodies specific for carcinoembryonic antigen (CEA) were shown to bind selectively to cells bearing CEA on their surface. The immunoliposomes attached to tumour cells suppressed growth in vitro upon thermal neutron irradiation and suppression was dependent upon the concentration of the 10B-compound in the liposomes and on the density of antibody conjugated to the liposomes. The results suggest that immunoliposomes containing the 10B-compound could act as a selective and efficient carrier of 10B atoms to target tumour cells in boron neutron-capture therapy. Images Figure 1 PMID:2021537

Theoretical Studies of Group IVA and Group IVB Chemistry

DTIC Science & Technology

2012-01-13

novel ionic liquids . We have performed very high level CCSD(T) calculations on one such species, Al13- to predict its ionization potential in nearly...Precursors. Polyhedral oligomeric silsesquioxanes (POSS) are three- dimensional Si-O cage compounds that have many uses, because of their resistance

Bicyclic tetrapeptide histone deacetylase inhibitors with methoxymethyl ketone and boronic acid zinc-binding groups.

PubMed

Islam, Md Nurul; Islam, Md Shahidul; Hoque, Md Ashraful; Kato, Tamaki; Nishino, Norikazu; Ito, Akihiro; Yoshida, Minoru

2014-12-01

Histone deacetylase (HDAC) inhibitors are a class of potential therapeutics for the treatment of cancer. Bicyclic tetrapeptides equipped with methoxymethyl ketone and boronic acid as zinc-binding group were designed and synthesized. The inhibitory activities of these compounds were evaluated against HDAC enzymes. The cell-free and cell-based assay data showed that both potency and selectivity changed with the change in zinc-binding group. Boronic acid-based compound showed poor activity whereas methoxymethyl ketone-based compound displayed impressive activity in both cell-free and cell-based conditions. Copyright © 2014 Elsevier Inc. All rights reserved.

Boron containing compounds and their preparation and use in neutron capture therapy

DOEpatents

Gabel, D.

1992-09-01

The present invention pertains to boron containing thiouracil derivatives, their method of preparations, and their use in the therapy of malignant melanoma using boron neutron capture therapy. No Drawings

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.

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

Effect of Boron and Phosphate compounds on Thermal and Fire Properties of wood/HDPE composites

Treesearch

Turgay Akbulut; Nadir Ayrilmis; Turker Dundar; Ali Durmus; Robert H. White; Murat Teker

2011-01-01

Melting and non-isothermal crystallization behaviors, oxidative induction time, and fire performance of the injection-molded wood flour-high density polyethylene (HDPE) composites (WPCs) incorporated with different levels (4, 8, or 12 wt %) of boron compounds [borax/boric acid (BX/BA) (0.5:0.5 wt %), zinc borate (ZB)] and phosphorus compounds [mono- and di-ammonium...

Synthesis and biological evaluation of new boron-containing chlorin derivatives as agents for both photodynamic therapy and boron neutron capture therapy of cancer.

PubMed

Asano, Ryuji; Nagami, Amon; Fukumoto, Yuki; Miura, Kaori; Yazama, Futoshi; Ito, Hideyuki; Sakata, Isao; Tai, Akihiro

2014-03-01

New boron-containing chlorin derivatives 9 and 13 as agents for both photodynamic therapy (PDT) and boron neutron capture therapy (BNCT) of cancer were synthesized from photoprotoporphyrin IX dimethyl ester (2) and L-4-boronophenylalanine-related compounds. The in vivo biodistribution and clearance of 9 and 13 were investigated in tumor-bearing mice. The time to maximum accumulation of compound 13 in tumor tissue was one-fourth of that of compound 9, and compound 13 showed rapid clearance from normal tissues within 24h after injection. The in vivo therapeutic efficacy of PDT using 13 was evaluated by measuring tumor growth rates in tumor-bearing mice with 660 nm light-emitting diode irradiation at 3h after injection of 13. Tumor growth was significantly inhibited by PDT using 13. These results suggested that 13 might be a good candidate for both PDT and BNCT of cancer. Copyright © 2014 Elsevier Ltd. All rights reserved.

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.

Hollow boron nitride nanospheres as boron reservoir for prostate cancer treatment

PubMed Central

Li, Xia; Wang, Xiupeng; Zhang, Jun; Hanagata, Nobutaka; Wang, Xuebin; Weng, Qunhong; Ito, Atsuo; Bando, Yoshio; Golberg, Dmitri

2017-01-01

High global incidence of prostate cancer has led to a focus on prevention and treatment strategies to reduce the impact of this disease in public health. Boron compounds are increasingly recognized as preventative and chemotherapeutic agents. However, systemic administration of soluble boron compounds is hampered by their short half-life and low effectiveness. Here we report on hollow boron nitride (BN) spheres with controlled crystallinity and boron release that decrease cell viability and increase prostate cancer cell apoptosis. In vivo experiments on subcutaneous tumour mouse models treated with BN spheres demonstrated significant suppression of tumour growth. An orthotopic tumour growth model was also utilized and further confirmed the in vivo anti-cancer efficacy of BN spheres. Moreover, the administration of hollow BN spheres with paclitaxel leads to synergetic effects in the suppression of tumour growth. The work demonstrates that hollow BN spheres may function as a new agent for prostate cancer treatment. PMID:28059072

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.

Boron neutron capture therapy (BNCT) for the treatment of liver metastases: biodistribution studies of boron compounds in an experimental model.

PubMed

Garabalino, Marcela A; Monti Hughes, Andrea; Molinari, Ana J; Heber, Elisa M; Pozzi, Emiliano C C; Cardoso, Jorge E; Colombo, Lucas L; Nievas, Susana; Nigg, David W; Aromando, Romina F; Itoiz, Maria E; Trivillin, Verónica A; Schwint, Amanda E

2011-03-01

We previously demonstrated the therapeutic efficacy of different boron neutron capture therapy (BNCT) protocols in an experimental model of oral cancer. BNCT is based on the selective accumulation of (10)B carriers in a tumor followed by neutron irradiation. Within the context of exploring the potential therapeutic efficacy of BNCT for the treatment of liver metastases, the aim of the present study was to perform boron biodistribution studies in an experimental model of liver metastases in rats. Different boron compounds and administration conditions were assayed to determine which administration protocols would potentially be therapeutically useful in in vivo BNCT studies at the RA-3 nuclear reactor. A total of 70 BDIX rats were inoculated in the liver with syngeneic colon cancer cells DHD/K12/TRb to induce the development of subcapsular tumor nodules. Fourteen days post-inoculation, the animals were used for biodistribution studies. We evaluated a total of 11 administration protocols for the boron compounds boronophenylalanine (BPA) and GB-10 (Na(2)(10)B(10)H(10)), alone or combined at different dose levels and employing different administration routes. Tumor, normal tissue, and blood samples were processed for boron measurement by atomic emission spectroscopy. Six protocols proved potentially useful for BNCT studies in terms of absolute boron concentration in tumor and preferential uptake of boron by tumor tissue. Boron concentration values in tumor and normal tissues in the liver metastases model show it would be feasible to reach therapeutic BNCT doses in tumor without exceeding radiotolerance in normal tissue at the thermal neutron facility at RA-3. © Springer-Verlag 2010

Boron Neutron Capture Therapy (BCNT) for the Treatment of Liver Metastases: Biodistribution Studies of Boron Compounds in an Experimental Model

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

Marcela A. Garabalino; Andrea Monti Hughes; Ana J. Molinari

2011-03-01

Abstract We previously demonstrated the therapeutic efficacy of different boron neutron capture therapy (BNCT) protocols in an experimental model of oral cancer. BNCT is based on the selective accumulation of 10B carriers in a tumor followed by neutron irradiation. Within the context of exploring the potential therapeutic efficacy of BNCT for the treatment of liver metastases, the aim of the present study was to perform boron biodistribution studies in an experimental model of liver metastases in rats. Different boron compounds and administration conditions were assayed to determine which administration protocols would potentially be therapeutically useful in in vivo BNCT studiesmore » at the RA-3 nuclear reactor. A total of 70 BDIX rats were inoculated in the liver with syngeneic colon cancer cells DHD/K12/TRb to induce the development of subcapsular tumor nodules. Fourteen days post-inoculation, the animals were used for biodistribution studies. We evaluated a total of 11 administration protocols for the boron compounds boronophenylalanine (BPA) and GB-10 (Na210B10H10), alone or combined at different dose levels and employing different administration routes. Tumor, normal tissue, and blood samples were processed for boron measurement by atomic emission spectroscopy. Six protocols proved potentially useful for BNCT studies in terms of absolute boron concentration in tumor and preferential uptake of boron by tumor tissue. Boron concentration values in tumor and normal tissues in the liver metastases model show it would be feasible to reach therapeutic BNCT doses in tumor without exceeding radiotolerance in normal tissue at the thermal neutron facility at RA-3.« less

Development and application of colorimetric microassay for determining boron-containing compounds

Treesearch

S. Nami Kartal; Frederick Green

2002-01-01

This paper describes the development of a microsssay for boron and the application of this microassay for evaluating leachability of boron by post-treatment of southern pine with the calcium precipitating agent NHA (N'N-napthaloylhydroxylamine). The microsssay method for quantitative estimation of boron content in treated wood and leachates is a microadaptation of...

One-pot synthesis of h-BN fullerenes usinsg a graphene oxide template

NASA Astrophysics Data System (ADS)

Kim, Sang Sub; Khai, Tran Van; Kwon, Yong Jung; Katoch, Akash; Wu, Ping; Kim, Hyoun Woo

2015-09-01

Hexagonal-boron nitride ( h-BN) fullerenes were synthesized from a graphene oxide (GO) template by simultaneously heating the GO and B2O3 in the presence of NH3 gas. Transmission electron microscopy (TEM) observations revealed that a considerable amount of product had a fullerene-like nanostructure. Typical BN fullerenes have a polyhedral shape, being hollow nanocages. Lattice-resolved TEM and X-ray diffraction consistently demonstrated the formation of h-BN fullerenes. The FTIR spectrum exhibited absorption bands at approximately 800 and 1378 cm-1, which were related to the h-BN structure. The Raman spectra exhibited peaks at 1368 and 1399 cm-1, which can be related to BN sheets and BN fullerenes, respectively. The photoluminescence spectrum of the h-BN fullerenes taken at 8 K exhibited intense white-light emission. To reveal the origin of the broad emission band, which could be a superimposition of several peaks, we used a deconvolution procedure based on Gaussian functions. We proposed a growth mechanism of the h-BN fullerenes and verified it with a thermodynamic calculation. This work provides a cost-effective approach to synthesize fullerene-type boron nitride on a production scale.

Synthesis and structural investigation of new Co1-xNixTeO4 (x = 0, 0.2, 0.5, 0.8 and 1) compounds

NASA Astrophysics Data System (ADS)

Patel, Akhilesh K.; Singh, Harishchandra; Suresh, K. G.

2018-05-01

The new polycrystalline compounds Co1-xNixTeO4 (x = 0, 0.2, 0.5, 0.8 and 1) were prepared by sol-gel method and their structural properties have been studied. Structural investigation through Rietveld method shows monoclinic structure with space group P21/c for all compounds. All compounds polyhedral structure found to be in octahedral form with cations (M) at the center and six oxygen atoms at corner of octahedral structure. The lattice parameters variation with Ni substitution are found to be decreasing with Ni substitution.

In vivo prompt gamma neutron activation analysis for the screening of boron-10 distribution in a rabbit knee: a simulation study

NASA Astrophysics Data System (ADS)

Zhu, X.; Clackdoyle, R.; Shortkroff, S.; Yanch, J.

2008-05-01

Boron neutron capture synovectomy (BNCS) is under development as a potential treatment modality for rheumatoid arthritis (RA). RA is characterized by the inflammation of the synovium (the membrane lining articular joints), which leads to pain and a restricted range of motion. BNCS is a two-part procedure involving the injection of a boronated compound directly into the diseased joint followed by irradiation with a low-energy neutron beam. The neutron capture reactions taking place in the synovium deliver a local, high-linear energy transfer (LET) dose aimed at destroying the inflamed synovial membrane. For successful treatment via BNCS, a boron-labeled compound exhibiting both high synovial uptake and long retention time is necessary. Currently, the in vivo uptake behavior of potentially useful boronated compounds is evaluated in the knee joints of rabbits in which arthritis has been induced. This strategy involves the sacrifice and dissection of a large number of animals. An in vivo 10B screening approach is therefore under investigation with the goal of significantly reducing the number of animals needed for compound evaluation via dissection studies. The 'in vivo prompt gamma neutron activation analysis' (IVPGNAA) approach uses a narrow neutron beam to irradiate the knee from several angular positions following the intra-articular injection of a boronated compound whose uptake characteristics are unknown. A high-purity germanium detector collects the 478 keV gamma photons produced by the 10B capture reactions. The 10B distribution in the knee is then reconstructed by solving a system of simultaneous equations using a weighted least squares algorithm. To study the practical feasibility of IVPGNAA, simulation data were generated with the Monte Carlo N-particle transport code. The boron-containing region of a rabbit knee was partitioned into 8 compartments, and the 10B prompt gamma signals were tallied from 16 angular positions. Results demonstrate that for this level of spatial resolution, an estimate of 10B distribution inside the joint can be obtained to within 10% uncertainty, under ideal conditions. Variations of the anatomic dimensions among individual rabbit knees and potential knee positioning errors will result in an uncertainty of over 20%. IVPGNAA thus provides sufficient resolution and quantification regarding the in vivo uptake characteristics of boronated pharmaceuticals to serve as a useful means of screening new compounds of potential use in BNCS.

Isotope engineering of van der Waals interactions in hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Vuong, T. Q. P.; Liu, S.; van der Lee, A.; Cuscó, R.; Artús, L.; Michel, T.; Valvin, P.; Edgar, J. H.; Cassabois, G.; Gil, B.

2018-02-01

Hexagonal boron nitride is a model lamellar compound where weak, non-local van der Waals interactions ensure the vertical stacking of two-dimensional honeycomb lattices made of strongly bound boron and nitrogen atoms. We study the isotope engineering of lamellar compounds by synthesizing hexagonal boron nitride crystals with nearly pure boron isotopes (10B and 11B) compared to those with the natural distribution of boron (20 at% 10B and 80 at% 11B). On the one hand, as with standard semiconductors, both the phonon energy and electronic bandgap varied with the boron isotope mass, the latter due to the quantum effect of zero-point renormalization. On the other hand, temperature-dependent experiments focusing on the shear and breathing motions of adjacent layers revealed the specificity of isotope engineering in a layered material, with a modification of the van der Waals interactions upon isotope purification. The electron density distribution is more diffuse between adjacent layers in 10BN than in 11BN crystals. Our results open perspectives in understanding and controlling van der Waals bonding in layered materials.

Isotope engineering of van der Waals interactions in hexagonal boron nitride.

PubMed

Vuong, T Q P; Liu, S; Van der Lee, A; Cuscó, R; Artús, L; Michel, T; Valvin, P; Edgar, J H; Cassabois, G; Gil, B

2018-02-01

Hexagonal boron nitride is a model lamellar compound where weak, non-local van der Waals interactions ensure the vertical stacking of two-dimensional honeycomb lattices made of strongly bound boron and nitrogen atoms. We study the isotope engineering of lamellar compounds by synthesizing hexagonal boron nitride crystals with nearly pure boron isotopes ( 10 B and 11 B) compared to those with the natural distribution of boron (20 at% 10 B and 80 at% 11 B). On the one hand, as with standard semiconductors, both the phonon energy and electronic bandgap varied with the boron isotope mass, the latter due to the quantum effect of zero-point renormalization. On the other hand, temperature-dependent experiments focusing on the shear and breathing motions of adjacent layers revealed the specificity of isotope engineering in a layered material, with a modification of the van der Waals interactions upon isotope purification. The electron density distribution is more diffuse between adjacent layers in 10 BN than in 11 BN crystals. Our results open perspectives in understanding and controlling van der Waals bonding in layered materials.

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.

Current data regarding the structure-toxicity relationship of boron-containing compounds.

PubMed

Farfán-García, E D; Castillo-Mendieta, N T; Ciprés-Flores, F J; Padilla-Martínez, I I; Trujillo-Ferrara, J G; Soriano-Ursúa, M A

2016-09-06

Boron is ubiquitous in nature, being an essential element of diverse cells. As a result, humans have had contact with boron containing compounds (BCCs) for a long time. During the 20th century, BCCs were developed as antiseptics, antibiotics, cosmetics and insecticides. Boric acid was freely used in the nosocomial environment as an antiseptic and sedative salt, leading to the death of patients and an important discovery about its critical toxicology for humans. Since then the many toxicological studies done in relation to BCCs have helped to establish the proper limits of their use. During the last 15 years, there has been a boom of research on the design and use of new, potent and efficient boron containing drugs, finding that the addition of boron to some known drugs increases their affinity and selectivity. This mini-review summarizes two aspects of BCCs: toxicological data found with experimental models, and the scarce but increasing data about the structure-activity relationship for toxicity and therapeutic use. As is the case with boron-free compounds, the biological activity of BCCs is related to their chemical structure. We discuss the use of new technology to discover potent and efficient BCCs for medicinal therapy by avoiding toxic effects. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

L-Phenylalanine preloading reduces the (10)B(n, α)(7)Li dose to the normal brain by inhibiting the uptake of boronophenylalanine in boron neutron capture therapy for brain tumours.

PubMed

Watanabe, Tsubasa; Tanaka, Hiroki; Fukutani, Satoshi; Suzuki, Minoru; Hiraoka, Masahiro; Ono, Koji

2016-01-01

Boron neutron capture therapy (BNCT) is a cellular-level particle radiation therapy that combines the selective delivery of boron compounds to tumour tissue with neutron irradiation. Previously, high doses of one of the boron compounds used for BNCT, L-BPA, were found to reduce the boron-derived irradiation dose to the central nervous system. However, injection with a high dose of L-BPA is not feasible in clinical settings. We aimed to find an alternative method to improve the therapeutic efficacy of this therapy. We examined the effects of oral preloading with various analogues of L-BPA in a xenograft tumour model and found that high-dose L-phenylalanine reduced the accumulation of L-BPA in the normal brain relative to tumour tissue. As a result, the maximum irradiation dose in the normal brain was 19.2% lower in the L-phenylalanine group relative to the control group. This study provides a simple strategy to improve the therapeutic efficacy of conventional boron compounds for BNCT for brain tumours and the possibility to widen the indication of BNCT to various kinds of other tumours. Copyright © 2015. Published by Elsevier Ireland Ltd.

Termite Resistance of MDF Panels Treated with Various Boron Compounds

PubMed Central

Usta, Mustafa; Ustaomer, Derya; Kartal, Saip Nami; Ondaral, Sedat

2009-01-01

In this study, the effects of various boron compounds on the termite resistance of MDF panels were evaluated. Either borax (BX), boric acid (BA), zinc borate (ZB), or sodium perborate tetrahydrate (SPT) were added to urea-formaldehyde (UF) resin at target contents of 1%, 1.5%, 2% and 2.5% based on dry fiber weight. The panels were then manufactured using 12% urea-formaldehyde resin and 1% NH4Cl. MDF samples from the panels were tested against the subterranean termites, Coptotermes formosanus Shiraki. Laboratory termite resistance tests showed that all samples containing boron compounds had greater resistance against termite attack compared to untreated MDF samples. At the second and third weeks of exposure, nearly 100% termite mortalities were recorded in all boron compound treated samples. The highest termite mortalities were determined in the samples with either BA or BX. Also, it was found that SPT showed notable performance on the termite mortality. As chemical loadings increased, termite mortalities increased, and at the same time the weight losses of the samples decreased. PMID:19582229

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)

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.

New Icosahedral Boron Carbide Semiconductors

NASA Astrophysics Data System (ADS)

Echeverria Mora, Elena Maria

Novel semiconductor boron carbide films and boron carbide films doped with aromatic compounds have been investigated and characterized. Most of these semiconductors were formed by plasma enhanced chemical vapor deposition. The aromatic compound additives used, in this thesis, were pyridine (Py), aniline, and diaminobenzene (DAB). As one of the key parameters for semiconducting device functionality is the metal contact and, therefore, the chemical interactions or band bending that may occur at the metal/semiconductor interface, X-ray photoemission spectroscopy has been used to investigate the interaction of gold (Au) with these novel boron carbide-based semiconductors. Both n- and p-type films have been tested and pure boron carbide devices are compared to those containing aromatic compounds. The results show that boron carbide seems to behave differently from other semiconductors, opening a way for new analysis and approaches in device's functionality. By studying the electrical and optical properties of these films, it has been found that samples containing the aromatic compound exhibit an improvement in the electron-hole separation and charge extraction, as well as a decrease in the band gap. The hole carrier lifetimes for each sample were extracted from the capacitance-voltage, C(V), and current-voltage, I(V), curves. Additionally, devices, with boron carbide with the addition of pyridine, exhibited better collection of neutron capture generated pulses at ZERO applied bias, compared to the pure boron carbide samples. This is consistent with the longer carrier lifetimes estimated for these films. The I-V curves, as a function of external magnetic field, of the pure boron carbide films and films containing DAB demonstrate that significant room temperature negative magneto-resistance (> 100% for pure samples, and > 50% for samples containing DAB) is possible in the resulting dielectric thin films. Inclusion of DAB is not essential for significant negative magneto-resistance, however, these results suggest practical device applications, especially as such effects are manifested in nanoscale films with facile fabrication. Overall, the greater negative magneto-resistance, when undoped with an aromatic, suggests a material with more defects and is consistent with a shorter carrier lifetime.

Silicon carbide sintered body manufactured from silicon carbide powder containing boron, silicon and carbonaceous additive

NASA Technical Reports Server (NTRS)

Tanaka, Hidehiko

1987-01-01

A silicon carbide powder of a 5-micron grain size is mixed with 0.15 to 0.60 wt% mixture of a boron compound, i.e., boric acid, boron carbide (B4C), silicon boride (SiB4 or SiB6), aluminum boride, etc., and an aluminum compound, i.e., aluminum, aluminum oxide, aluminum hydroxide, aluminum carbide, etc., or aluminum boride (AlB2) alone, in such a proportion that the boron/aluminum atomic ratio in the sintered body becomes 0.05 to 0.25 wt% and 0.05 to 0.40 wt%, respectively, together with a carbonaceous additive to supply enough carbon to convert oxygen accompanying raw materials and additives into carbon monoxide.

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

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

Inorganic nanotubes and fullerene-like materials.

PubMed

Tenne, Reshef

2002-12-02

Following the discovery of fullerenes and carbon nanotubes, it was shown that nanoparticles of inorganic layered compounds, like MoS2, are unstable in the planar form and they form closed cage structures with polyhedral or nanotubular shapes. Various issues on the structure, synthesis, and properties of such inorganic fullerene-like structures are reviewed, together with some possible applications.

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.

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)

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.

From the Test Tube to the Treatment Room

PubMed Central

Del Rosso, James Q.; Plattner, Jacob J.

2014-01-01

The development of new drug classes and novel molecules that are brought to the marketplace has been a formidable challenge, especially for dermatologic drugs. The relative absence of new classes of antimicrobial agents is also readily apparent. Several barriers account for slow drug development, including regulatory changes, added study requirements, commercial pressures to bring drugs to market quickly by developing new generations of established compounds, and the greater potential for failure and higher financial risk when researching new drug classes. In addition, the return on investment is usually much lower with dermatologic drugs as compared to the potential revenue from “blockbuster” drugs for cardiovascular or gastrointestinal disease, hypercholesterolemia, and mood disorders. Nevertheless, some researchers are investigating new therapeutic platforms, one of which is boron-containing compounds. Boron-containing compounds offer a wide variety of potential applications in dermatology due to their unique physical and chemical properties, with several in formal phases of development. Tavaborole, a benzoxaborole compound, has been submitted to the United States Food and Drug Administration for approval for treatment of onychomycosis. This article provides a thorough overview of the history of boron-based compounds in medicine, their scientific rationale, physiochemical and pharmacologic properties, and modes of actions including therapeutic targets. A section dedicated to boron-based compounds in development for treatment of various skin disorders is also included. PMID:24578778

Synthesis and spectroscopic properties of some new difluoroboron bis-β-diketonate derivatives.

PubMed

Pi, Yan; Wang, Dun-Jia; Liu, Hua; Hu, Yan-Jun; Wei, Xian-Hong; Zheng, Jing

2014-10-15

Six new bis-β-diketones (RCOCH2CO-C7H7N-COCH2COR) were synthesized from 3,5-diacetyl-2,6-dimethylpyridine via Claisen condensation with the corresponding esters, and then reacted with boron trifluoride etherate to afford difluoroboron bis-β-diketonate derivatives. Their spectroscopic properties were investigated by UV-vis, FTIR, (1)H NMR and fluorescence spectroscopic techniques. It was found that these boron complexes exhibited violet or blue fluorescence emission at 422-445nm and possessed high extinction coefficients. The results indicate that the extending π-conjugation can increase the fluorescence intensity and quantum yield for these boron complexes. Especially, the compound 2b displayed the stronger fluorescence intensity and the highest fluorescence quantum yield (Φu=0.94) in these boron compounds. However, compounds 2c and 2d had the lower fluorescence intensity and quantum yield as a result of the heavy atom effect of the chlorine atom in the molecules. Copyright © 2014 Elsevier B.V. All rights reserved.

Synthesis and spectroscopic properties of some new difluoroboron bis-β-diketonate derivatives

NASA Astrophysics Data System (ADS)

Pi, Yan; Wang, Dun-Jia; Liu, Hua; Hu, Yan-Jun; Wei, Xian-Hong; Zheng, Jing

2014-10-01

Six new bis-β-diketones (RCOCH2CO-C7H7N-COCH2COR) were synthesized from 3,5-diacetyl-2,6-dimethylpyridine via Claisen condensation with the corresponding esters, and then reacted with boron trifluoride etherate to afford difluoroboron bis-β-diketonate derivatives. Their spectroscopic properties were investigated by UV-vis, FTIR, 1H NMR and fluorescence spectroscopic techniques. It was found that these boron complexes exhibited violet or blue fluorescence emission at 422-445 nm and possessed high extinction coefficients. The results indicate that the extending π-conjugation can increase the fluorescence intensity and quantum yield for these boron complexes. Especially, the compound 2b displayed the stronger fluorescence intensity and the highest fluorescence quantum yield (Φu = 0.94) in these boron compounds. However, compounds 2c and 2d had the lower fluorescence intensity and quantum yield as a result of the heavy atom effect of the chlorine atom in the molecules.

Photovoltaic Device Including A Boron Doping Profile In An I-Type Layer

DOEpatents

Yang, Liyou

1993-10-26

A photovoltaic cell for use in a single junction or multijunction photovoltaic device, which includes a p-type layer of a semiconductor compound including silicon, an i-type layer of an amorphous semiconductor compound including silicon, and an n-type layer of a semiconductor compound including silicon formed on the i-type layer. The i-type layer including an undoped first sublayer formed on the p-type layer, and a boron-doped second sublayer formed on the first sublayer.

Accelerator-driven boron neutron capture therapy

NASA Astrophysics Data System (ADS)

Edgecock, Rob

2014-05-01

Boron Neutron Capture Therapy is a binary treatment for certain types of cancer. It works by loading the cancerous cells with a boron-10 carrying compound. This isotope has a large cross-section for thermal neutrons, the reaction producing a lithium nucleus and alpha particle that kill the cell in which they are produced. Recent studies of the boron carrier compound indicate that the uptake process works best in particularly aggressive cancers. Most studied is glioblastoma multiforme and a trial using a combination of BNCT and X-ray radiotherapy has shown an increase of nearly a factor of two in mean survival over the state of the art. However, the main technical problem with BNCT remains producing a sufficient flux of neutrons for a reasonable treatment duration in a hospital environment. This paper discusses this issue.

Base free aryl coupling of diazonium compounds and boronic esters: self-activation allowing an overall highly practical process.

PubMed

Bonin, Hélène; Delbrayelle, Dominique; Demonchaux, Patrice; Gras, Emmanuel

2010-04-21

Boronic esters have long been considered as poor partners in cross-coupling reactions with arene diazoniums. Here is reported an unprecedented application of self-activated boronic esters in a base-free cross-coupling reaction with diazonium salts under mild and user friendly conditions.

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

Encapsulation of cisplatin as an anti-cancer drug into boron-nitride and carbon nanotubes: Molecular simulation and free energy calculation.

PubMed

Roosta, Sara; Hashemianzadeh, Seyed Majid; Ketabi, Sepideh

2016-10-01

Encapsulation of cisplatin anticancer drug into the single walled (10, 0) carbon nanotube and (10, 0) boron-nitride nanotube was investigated by quantum mechanical calculations and Monte Carlo Simulation in aqueous solution. Solvation free energies and complexation free energies of the cisplatin@ carbon nanotube and cisplatin@ boron-nitride nanotube complexes was determined as well as radial distribution functions of entitled compounds. Solvation free energies of cisplatin@ carbon nanotube and cisplatin@ boron-nitride nanotube were -4.128kcalmol(-1) and -2457.124kcalmol(-1) respectively. The results showed that cisplatin@ boron-nitride nanotube was more soluble species in water. In addition electrostatic contribution of the interaction of boron- nitride nanotube complex and solvent was -281.937kcalmol(-1) which really more than Van der Waals and so the electrostatic interactions play a distinctive role in the solvation free energies of boron- nitride nanotube compounds. On the other hand electrostatic part of the interaction of carbon nanotube complex and solvent were almost the same as Van der Waals contribution. Complexation free energies were also computed to study the stability of related structures and the free energies were negative (-374.082 and -245.766kcalmol(-1)) which confirmed encapsulation of drug into abovementioned nanotubes. However, boron-nitride nanotubes were more appropriate for encapsulation due to their larger solubility in aqueous solution. Copyright © 2016 Elsevier B.V. All rights reserved.

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

Carboranylporphyrins and uses thereof

DOEpatents

Wu, Haitao; Miura, Michiko

2006-02-07

The present invention is directed to low toxicity boronated compounds and methods for their use in the treatment, visualization, and diagnosis of tumors. More specifically, the present invention is directed to low toxicity carborane-containing 5, 10, 15, 20-tetraphenylporphyrin compounds and methods for their use particularly in boron neutron capture therapy (BNCT) and photodynamic therapy (PDT) for the treatment of tumors of the brain, head and neck, and surrounding tissue. The invention is also directed to using these carborane-containing tetraphenyl porphyrin compounds to methods of tumor imaging and/or diagnosis such as MRI, SPECT, or PET.

Carboranylporphyrins and uses thereof

DOEpatents

Wu, Haitao; Miura, Michiko

2006-01-24

The present invention is directed to low toxicity boronated compounds and methods for their use in the treatment, visualization, and diagnosis of tumors. More specifically, the present invention is directed to low toxicity carborane-containing 5, 10, 15, 20-tetraphenylporphyrin compounds and methods for their use particularly in boron neutron capture therapy (BNCT) and photodynamic therapy (PDT) for the treatment of tumors of the brain, head, neck, and surrounding tissue. The invention is also directed to using these carborane-containing tetraphenyl porphyrin compounds to methods of tumor imaging and/or diagnosis such as MRI, SPECT, or PET.

Synthesis and biological evaluation of new BSH-conjugated chlorin derivatives as agents for both photodynamic therapy and boron neutron capture therapy of cancer.

PubMed

Asano, Ryuji; Nagami, Amon; Fukumoto, Yuki; Miura, Kaori; Yazama, Futoshi; Ito, Hideyuki; Sakata, Isao; Tai, Akihiro

2014-11-01

New disodium mercaptoundecahydro-closo-dodecaborate (BSH)-conjugated chlorin derivatives 11, 12, 16 and 20 as agents for both photodynamic therapy (PDT) and boron neutron capture therapy (BNCT) of cancer were synthesized. The in vivo biodistribution and clearance of 11, 12, 16 and 20 were investigated in tumor-bearing mice. Compounds 12 and 16 showed good tumor-selective accumulation among the four derivatives. The time to maximum accumulation of compound 16 in tumor tissue was one-fourth of that of compound 12, and clearance from normal tissues of compound 16 was similar to that of compound 12. The in vivo therapeutic efficacy of PDT using 16, which has twice as many boron atoms as 12, was evaluated by measuring tumor growth rates in tumor-bearing mice with 660 nm light-emitting diode irradiation at 6h after injection of 16. Tumor growth was significantly inhibited by PDT using 16. These results suggested that 16 is a good candidate for both PDT and BNCT of cancer. Copyright © 2014 Elsevier B.V. All rights reserved.

Not all boronic acids with a five-membered cycle induce tremor, neuronal damage and decreased dopamine.

PubMed

Pérez-Rodríguez, Maribel; García-Mendoza, Esperanza; Farfán-García, Eunice D; Das, Bhaskar C; Ciprés-Flores, Fabiola J; Trujillo-Ferrara, José G; Tamay-Cach, Feliciano; Soriano-Ursúa, Marvin A

2017-09-01

Several striatal toxins can be used to induce motor disruption. One example is MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine), whose toxicity is accepted as a murine model of parkinsonism. Recently, 3-Thienylboronic acid (3TB) was found to produce motor disruption and biased neuronal damage to basal ganglia in mice. The aim of this study was to examine the toxic effects of four boronic acids with a close structural relationship to 3TB (all having a five-membered cycle), as well as boric acid and 3TB. These boron-containing compounds were compared to MPTP regarding brain access, morphological disruption of the CNS, and behavioral manifestations of such disruption. Data was collected through acute toxicity evaluations, motor behavior tests, necropsies, determination of neuronal survival by immunohistochemistry, Raman spectroscopic analysis of brain tissue, and HPLC measurement of dopamine in substantia nigra and striatum tissue. Each compound showed a distinct profile for motor disruption. For example, motor activity was not disrupted by boric acid, but was decreased by two boronic acids (caused by a sedative effect). 3TB, 2-Thienyl and 2-furanyl boronic acid gave rise to shaking behavior. The various manifestations generated by these compounds can be linked, in part, to different levels of dopamine (measured by HPLC) and degrees of neuronal damage in the basal ganglia and cerebellum. Clearly, motor disruption is not induced by all boronic acids with a five-membered cycle as substituent. Possible explanations are given for the diverse chemico-morphological changes and degrees of disruption of the motor system, considering the role of boron and the structure-toxicity relationship. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Effect of boron compounds on physical, mechanical, and fire properties of injection molded wood plastic composites

Treesearch

Nadir Ayrilmis; Turgay Akbulut; Turker Dundar; Robert H. White; Fatih Mengeloglu; Zeki Candan; Umit Buyuksari; Erkan Avci

2011-01-01

Physical, mechanical, and fire properties of the injection-molded wood flour/polypropylene composites (WPCs) incorporated with different levels of boron compounds, borax/boric acid (BX/BA) (0.5:0.5 wt %) and zinc borate (ZB) (4, 8, or 12 wt %) were investigated. The effect of the coupling agent loading (2, 4, or 6 wt %), maleic anhydride-grafted PP (MAPP), on the...

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.

Ultrahydrophobic Fluorinated Polyhedral Oligomeric Silsesquioxanes (F-POSS) (Preprint)

DTIC Science & Technology

2007-01-25

From - To) 25-01-2007 Journal Article 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Ultrahydrophobic Fluorinated Polyhedral Oligomeric Silsesquioxanes...Ultrahydrophobic Fluorinated Polyhedral Oligomeric Silsesquioxanes (F-POSS) Joseph M. Mabry,* Ashwani Vij,* Scott T. Iacono, and Brent D. Viers Recently...there exists a demand to construct ultrahydrophobic materials inspired by nature that are easy to prepare on a large scale. Polyhedral oligomeric

Copper(II)-Catalyzed Conversion of Aryl/Heteroaryl Boronic Acids, Boronates, and Trifluoroborates into the Corresponding Azides: Substrate Scope and Limitations.

PubMed

Grimes, Kimberly D; Gupte, Amol; Aldrich, Courtney C

2010-05-01

We report the copper(II)-catalyzed conversion of organoboron compounds into the corresponding azide derivatives. A systematic series of phenylboronic acid derivatives is evaluated to examine the importance of steric and electronic effects of the substituents on reaction yield as well as functional group compatibility. Heterocyclic substrates are also shown to participate in this mild reaction while compounds incorporating B-C(sp(3)) bonds are unreactive under the reaction conditions. The copper(II)-catalyzed boronic acid-azide coupling reaction is further extended to both boronate esters and potassium organotrifluoroborate salts. The method described herein complements existing procedures for the preparation of aryl azides from the respective amino, triazene, and halide derivatives and we expect that it will greatly facilitate copper- and ruthenium-catalyzed azide-alkyne cycloaddition reactions for the preparation of diversely functionalized 1-aryl- or 1-heteroaryl-1,2,3-triazoles derivatives.

Functional Perfluoroalkyl Polyhedral Oligomeric Silsesquioxane (F-POSS): Building Blocks for Low Surface Energy Materials

DTIC Science & Technology

2010-10-21

Technical Paper 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Functional Perfluoroalkyl Polyhedral Oligomeric Silsesquioxane (F...long chain fluorinated alkyl groups ranging from 6-12 carbon atoms in length. Herein, a disilanol perfluoroalkyl polyhedral oligomeric...FUNCTIONAL PERFLUOROALKYL POLYHEDRAL OLIGOMERIC SILSESQUIOXANES (F-POSS): BUILDING BLOCKS FOR LOW SURFACE ENERGY MATERIA LS Sean M Rami,.e:, Yvonne Dia

Feasibility studies of the growth of 3-5 compounds of boron by MOCVD

NASA Technical Reports Server (NTRS)

Manasevit, H. M.

1988-01-01

Boron-arsenic and boron-phosphorus films have been grown on Si sapphire and silicon-on-sapphire (SOS) by pyrolyzing Group 3 alkyls of boron, i.e., trimethylborane (TMB) and triethylborane (TEB), in the presence of AsH3 and PH3, respectively, in an H2 atmosphere. No evidence for reaction between the alkyls and the hydrides on mixing at room temperature was found. However, the films were predominantly amorphous. The film growth rate was found to depend on the concentration of alkyl boron compound and was essentially constant when TEB and AsH3 were pyrolyzed over the temperature range 550 C to 900 C. The films were found to contain mainly carbon impurities (the amount varying with growth temperature), some oxygen, and were highly stressed and bowed on Si substrates, with some crazing evident in thin (2 micron) B-P and thick (5 micron) B-As films. The carbon level was generally higher in films grown using TEB as the boron source. Films grown from PH3 and TMB showed a higher carbon content than those grown from AsH3 and TMB. Based on their B/As and B/P ratios, films with nominal compositions B sub12-16 As2 and B sub1.1-1.3 P were grown using TMB as the boron source.

Investigations on the system boron-carbon silicon

NASA Technical Reports Server (NTRS)

Kieffer, R.; Gugel, E.; Leimer, G.; Ettmayer, P.

1983-01-01

The above elements form with each other binary compounds which are very interesting from the point of view of their structure and their chemistry and which are important for technology. The present investigation is concerned with the three-component system and the behavior of the binary compounds occurring in it. Investigations employing various techniques, such as X-ray, chemical analysis, microscopy and fusion experiments showed that no ternary phase exists within the boundary of the ternary system. There is no compound with a higher abrasion capacity than boron carbide. The probable phase field divisions at two isothermic intersections and the fusion isotherms are indicated.

Carboranylporphyrins and uses thereof

DOEpatents

Miura, Michiko; Renner, Mark W

2012-10-16

The present invention is directed to low toxicity boronated compounds and methods for their use in the treatment, visualization, and diagnosis of tumors. More specifically, the present invention is directed to low toxicity carborane-containing porphyrin compounds with halide, amine, or nitro groups and methods for their use particularly in boron neutron capture therapy (BNCT), X-ray radiation therapy (XRT), and photodynamic therapy (PDT) for the treatment of tumors of the brain, head and neck, and surrounding tissue. The invention is also directed to using these carborane-containing porphyrin compounds in methods of tumor imaging and/or diagnosis such as MRI, SPECT, or PET.

Carbonylporphyrins and uses thereof

DOEpatents

Miura, Michiko; Renner, Mark W

2014-03-18

The present invention is directed to low toxicity boronated compounds and methods for their use in the treatment, visualization, and diagnosis of tumors. More specifically, the present invention is directed to low toxicity carborane-containing porphyrin compounds with halide, amine, or nitro groups and methods for their use particularly in boron neutron capture therapy (BNCT), X-ray radiation therapy (XRT), and photodynamic therapy (PDT) for the treatment of tumors of the brain, head and neck, and surrounding tissue. The invention is also directed to using these carborane-containing porphyrin compounds in methods of tumor imaging and/or diagnosis such as MRI, SPECT, or PET.

Symmetric and asymmetric halogen-containing metallocarboranylporphyrins and uses thereof

DOEpatents

Miura, Michiko; Wu, Haitao

2013-05-21

The present invention is directed to low toxicity boronated compounds and methods for their use in the treatment, visualization, and diagnosis of tumors. More specifically, the present invention is directed to low toxicity halogenated, carborane-containing 5,10,15,20-tetraphenylporphyrin compounds and methods for their use particularly in boron neutron capture therapy (BNCT) and photodynamic therapy (PDT) for the treatment of tumors of the brain, head and neck, and surrounding tissue. The invention is also directed to using these halogenated, carborane-containing tetraphenylporphyrin compounds in methods of tumor imaging and/or diagnosis such as MRI, SPECT, or PET.

Safety Assessment of Boron Nitride as Used in Cosmetics.

PubMed

Fiume, Monice M; Bergfeld, Wilma F; Belsito, Donald V; Hill, Ronald A; Klaassen, Curtis D; Liebler, Daniel C; Marks, James G; Shank, Ronald C; Slaga, Thomas J; Snyder, Paul W; Andersen, F Alan

2015-01-01

The Cosmetic Ingredient Review Expert Panel (Panel) assessed the safety of boron nitride which functions in cosmetics as a slip modifier (ie, it has a lubricating effect). Boron nitride is an inorganic compound with a crystalline form that can be hexagonal, spherical, or cubic; the hexagonal form is presumed to be used in cosmetics. The highest reported concentration of use of boron nitride is 25% in eye shadow formulations. Although boron nitride nanotubes are produced, boron nitride is not listed as a nanomaterial used in cosmetic formulations. The Panel reviewed available chemistry, animal data, and clinical data and concluded that this ingredient is safe in the present practices of use and concentration in cosmetic formulations. © The Author(s) 2015.

Influence of Peripheral Architecture on the Properties of Aryl Polyhedral Oligomeric Silsesquioxanes

DTIC Science & Technology

2012-03-28

8. PERFORMING ORGANIZATION REPORT NUMBER Air Force Research Laboratory (AFMC) AFRL/RZSM 9 Antares Road Edwards AFB CA 93524-7401 9...SPONSOR/MONITOR’S 5 Pollux Drive NUMBER(S) Edwards AFB CA 93524-7048 AFRL-RZ-ED-VG-2012-086 12. DISTRIBUTION / AVAILABILITY STATEMENT...National Meeting, San Diego, CA , 25-29 March 2012 and publication in Polymer Preprints, March 25, 2012. 14. ABSTRACT POSS compounds with non

Novel Carboranyl Derivatives of Nucleoside Mono- and Diphosphites and Phosphonates: A Synthetic Investigation

PubMed Central

Vyakaranam, Kamesh; Hosmane, Narayan S.

2004-01-01

A number of nucleoside mono- and diphosphites and phosphonates containing 1,2-dicarbadodecaborane (12) (la-6b) at 5'-position of the sugar moiety have been synthesized in good yields. Experimental details along with the spectroscopic and analytical data, supporting the formation of the title compounds, are presented. These constitute a new generation of boron compounds that are envisioned to be useful in cancer treatment via Boron Neutron Capture Therapy (BNCT). PMID:18365067

Tuning the Colors of the Dark Isomers of Photochromic Boron Compounds with Fluoride Ions: Four-State Color Switching.

PubMed

Mellerup, Soren K; Rao, Ying-Li; Amarne, Hazem; Wang, Suning

2016-09-02

Combining a three-coordinated boron (BMes2) moiety with a four-coordinated photochromic organoboron unit leads to a series of new diboron compounds that undergo four-state reversible color switching in response to stimuli of light, heat, and fluoride ions. Thus, these hybrid diboron systems allow both convenient color tuning/switching of such photochromic systems, as well as visual fluoride sensing by color or fluorescent emission color change.

Effects of boron derivatives on extracellular matrix formation.

PubMed

Benderdour, M; Van Bui, T; Hess, K; Dicko, A; Belleville, F; Dousset, B

2000-10-01

Boric acid solution (3%) dramatically improves wound healing through action on the extracellular matrix, a finding that has been obtained in vitro. Consequently, investigations are presently underway to produce boronated compounds having a therapeutical effectiveness similar to that of boric acid. On the basis of experimental results obtained with boric acid, we examined the effects of boron derivatives on extracellular matrix formation and degradation and analyzed their potential toxicity by using two biological models (chick embryo cartilage and human fibroblasts). The four boron derivatives tested in this study (triethanolamine borate; N-diethyl-phosphoramidate-propylboronique acid; 2,2 dimethylhexyl-1,3-propanediol-aminopropylboronate and 1,2 propanediol-aminopropylboronate) mimicked the effects of boric acid. They induced a decrease of intracellular concentrations in extracellular matrix macromolecules (proteoglycans, proteins)-associated with an increase of their release in culture medium and stimulated the activity of intra- and extracellular proteases. Similarly to boric acid, these actions occurred after exposure of the cells to concentrations of all boron derivatives without apparent toxic effects. The compounds were found to be more toxic than boric acid itself when concentrations were calculated according to their molecular weight. Nevertheless, these in vitro preliminary results demonstrate effects of boron derivatives that may be of therapeutic benefit in wound repair.

Aquaglyceroporins Are the Entry Pathway of Boric Acid in Trypanosoma brucei.

PubMed

Marsiccobetre, Sabrina; Rodríguez-Acosta, Alexis; Lang, Florian; Figarella, Katherine; Uzcátegui, Néstor L

2017-05-01

The boron element possesses a range of different effects on living beings. It is essential to beneficial at low concentrations, but toxic at excessive concentrations. Recently, some boron-based compounds have been identified as promising molecules against Trypanosoma brucei, the causative agent of sleeping sickness. However, until now, the boron metabolism and its access route into the parasite remained elusive. The present study addressed the permeability of T. brucei aquaglyceroporins (TbAQPs) for boric acid, the main natural boron species. To this end, the three TbAQPs were expressed in Saccharomyces cerevisiae and Xenopus laevis oocytes. Our findings in both expression systems showed that all three TbAQPs are permeable for boric acid. Especially TbAQP2 is highly permeable for this compound, displaying one of the highest conductances reported for a solute in these channels. Additionally, T. brucei aquaglyceroporin activities were sensitive to pH. Taken together, these results establish that TbAQPs are channels for boric acid and are highly efficient entry pathways for boron into the parasite. Our findings stress the importance of studying the physiological functions of boron and their derivatives in T. brucei, as well as the pharmacological implications of their uptake by trypanosome aquaglyceroporins. Copyright © 2017 Elsevier B.V. All rights reserved.

Multi-stimuli responsive luminescent azepane-substituted β-diketones and difluoroboron complexes.

PubMed

Wang, Fang; DeRosa, Christopher A; Daly, Margaret L; Song, Daniel; Fraser, Cassandra L

2017-09-01

Difluoroboron β-diketonate (BF 2 bdk) compounds show environment-sensitive optical properties in solution, aggregation-induced emission (AIE) and multi-stimuli responsive fluorescence switching in the solid state. Here, a series of 4-azepane-substituted β-diketone (bdk) ligands ( L-H , L-OMe , L-Br ) and their corresponding difluoroboron dyes ( D-H , D-OMe , D-Br ) were synthesized, and various responsive fluorescence properties of the compounds were studied, including solvatochromism, viscochromism, AIE, mechanochromic luminescence (ML) and halochromism. Compared to the β-diketones, the boron complexes exhibited higher extinction coefficients but lower quantum yields, and red-shifted absorption and emission in CH 2 Cl 2 . Computational studies showed that intramolecular charge transfer (ICT) dominated rather than π-π* transitions in all the compounds regardless of boron coordination. In solution, all the bdk ligands and boron dyes showed red-shifted emission in more polar solvents and increased fluorescence intensity in more viscous media. Upon aggregation, the emission of the β-diketones was quenched, however, the boronated dyes showed increased emission, indicative of AIE. Solid-state emission properties, ML and halochromism, were investigated on spin cast films. For ML, smearing caused a bathochromic emission shift for L-Br , and powder X-ray diffraction (XRD) patterns showed that the "as spun" and thermally annealed states were more crystalline and the smeared state was amorphous. No obvious ML emission shift was observed for L-H or L-OMe , and the boronated dyes were not mechano-active. Trifluoroacetic acid (TFA) and triethylamine (TEA) vapors were used to study halochromism. Large hypsochromic emission shifts were observed for all the compounds after TFA vapor was applied, and reversible fluorescence switching was achieved using the acid/base pair.

Boron-containing acids: preliminary evaluation of acute toxicity and access to the brain determined by Raman scattering spectroscopy.

PubMed

Soriano-Ursúa, Marvin A; Farfán-García, Eunice D; López-Cabrera, Yessica; Querejeta, Enrique; Trujillo-Ferrara, José G

2014-01-01

Boron-containing compounds (BCCs), particularly boron containing acids (BCAs), have become attractive moieties or molecules in drug development. It has been suggested that when functional groups with boron atoms are added to well-known drugs, the latter are conferred with greater potency and efficacy in relation to their target receptors. However, the use of BCAs in drug development is limited due to the lack of a toxicological profile. Consequently, the aim of the present study was to evaluate the acute toxicity of boric and boronic acids. Thus, a determination was made of the lethal dose (LD50) of test compounds in male CD1 mice, as well as the effective dose required to negatively affect spontaneous motor activity and to produce notable behavioral abnormalities. After treatment of animals at different doses, macroscopic observations were made from a necropsy, and Raman scattering spectroscopic studies were carried out on brain tissue samples. In general, the results show that most of the tested BCAs have very low toxicity, evidenced by the high doses required to induce notable toxic effects (greater than 100 mg/kg of body weight for all compounds, except for 3-thyenilboronic acid). Such toxic effects, presumably mediated by action on the CNS, include eye damage, gastrointestinal effects (e.g., gastric-gut dilatation and fecal retention), sedation, hypnosis and/or trembling. This preliminary toxicological profile suggests that BCAs can be considered potential therapeutic agents or moieties to be added to other compounds in the development of new drugs. Future studies are required to explore possible chronic toxicity of BCCs. Copyright © 2013 Elsevier Inc. All rights reserved.

An assessment of the genetic toxicology of novel boron-containing therapeutic agents.

PubMed

Ciaravino, Vic; Plattner, Jacob; Chanda, Sanjay

2013-06-01

Boron-containing compounds are being studied as potential therapeutic agents. As part of the safety assessment of these therapeutic agents, a battery of genetic toxicology studies was conducted. The battery included a bacterial reverse mutation (Ames) assay, an in vitro chromosome aberration assay in peripheral human lymphocytes, and an in vivo rat micronucleus study. The following compounds represent some of the boron-containing compounds that have been advanced to human clinical trials in various therapeutic areas. The borinic picolinate, AN0128, is an antibacterial compound with anti-inflammatory activity that has been studied in clinical trials for acne and the treatment of mild to moderate atopic dermatitis. AN2690 (tavaborole) is a benzoxaborole in Phase 3 clinical trials for the topical treatment of onychomycosis, a fungal infection of the toenails and fingernails. Another benzoxaborole derivative, AN2728, a phosphodiesterase-4 (PDE4) inhibitor, is in Phase 2 clinical trials for the treatment of atopic dermatitis. AN2898, also a PDE4 inhibitor, has been studied in clinical trials for atopic dermatitis and psoriasis. AN3365 is a leucyl-tRNA synthetase inhibitor that has been in clinical development for the treatment of various Gram-negative bacterial infections. These five representative compounds were negative in the three genotoxicity assays. Furthermore, AN2690 has been studied in mouse and rat 2-year bioassays and was not found to have any carcinogenic potential. These results demonstrate that it is possible to design boron-based therapeutic agents with no genetic toxicology liabilities. Copyright © 2013 Wiley Periodicals, Inc.

An Assessment of the Potential Use of BNNTs for Boron Neutron Capture Therapy.

PubMed

Ferreira, Tiago H; Miranda, Marcelo C; Rocha, Zildete; Leal, Alexandre S; Gomes, Dawidson A; Sousa, Edesia M B

2017-04-12

Currently, nanostructured compounds have been standing out for their optical, mechanical, and chemical features and for the possibilities of manipulation and regulation of complex biological processes. One of these compounds is boron nitride nanotubes (BNNTs), which are a nanostructured material analog to carbon nanotubes, but formed of nitrogen and boron atoms. BNNTs present high thermal stability along with high chemical inertia. Among biological applications, its biocompatibility, cellular uptake, and functionalization potential can be highlighted, in addition to its eased utilization due to its nanometric size and tumor cell internalization. When it comes to new forms of therapy, we can draw attention to boron neutron capture therapy (BNCT), an experimental radiotherapy characterized by a boron-10 isotope carrier inside the target and a thermal neutron beam focused on it. The activation of the boron-10 atom by a neutron generates a lithium atom, a gamma ray, and an alpha particle, which can be used to destroy tumor tissues. The aim of this work was to use BNNTs as a boron-10 carrier for BNCT and to demonstrate its potential. The nanomaterial was characterized through XRD, FTIR, and SEM. The WST-8 assay was performed to confirm the cell viability of BNNTs. The cells treated with BNNTs were irradiated with the neutron beam of a Triga reactor, and the apoptosis caused by the activation of the BNNTs was measured with a calcein AM/propidium iodide test. The results demonstrate that this nanomaterial is a promising candidate for cancer therapy through BNCT.

Magnetic iron oxides in the cementation technology of the boron-containing radioactive waste

NASA Astrophysics Data System (ADS)

Fedotov, M. A.; Gorbunova, O. A.; Fedorova, O. V.; Folmanis, G. E.; Kovalenko, L. V.

2015-04-01

Two ways of synthesis of non-detachable dispersed particles of magnetic materials useful for the boron-containing waste cementation process regulation were developed. Powder XRD showed that the method of carbothermic recovery of nanoscale iron hydroxide allows obtaining a mixture of iron oxides with content of the magnetic phase up to 70%. Method of low-temperature hydrogen reduction of the raw materials allows obtaining various compositions of a-iron and iron oxides with the possibility to change the size of the final particles in a wide range. The possibility of using composites of magnetic iron oxides and metal oxide compositions instead of ferromagnetic rods with VEP of boron-containing liquid radioactive waste in the fluidized field was studied. It was shown that the use of fine and nano particles of the iron oxides in the pre-treatment of the boron-containing LRW increases the strength of the final compounds and accelerates the cement setting compounds from 13 to 5-9 days.

Polyhedral sweeping processes with unbounded nonconvex-valued perturbation

NASA Astrophysics Data System (ADS)

Tolstonogov, A. A.

2017-12-01

A polyhedral sweeping process with a multivalued perturbation whose values are nonconvex unbounded sets is studied in a separable Hilbert space. Polyhedral sweeping processes do not satisfy the traditional assumptions used to prove existence theorems for convex sweeping processes. We consider the polyhedral sweeping process as an evolution inclusion with subdifferential operators depending on time. The widely used assumption of Lipschitz continuity for the multivalued perturbation term is replaced by a weaker notion of (ρ - H) Lipschitzness. The existence of solutions is proved for this sweeping process.

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.

Synthesis and characterization of boric acid mediated metal-organic frameworks based on trimesic acid and terephthalic acid

NASA Astrophysics Data System (ADS)

Ozer, Demet; Köse, Dursun A.; Şahin, Onur; Oztas, Nursen Altuntas

2017-08-01

The new metal-organic framework materials based on boric acid reported herein. Sodium and boron containing metal-organic frameworks were synthesized by one-pot self-assembly reaction in the presence of trimesic acid and terephthalic acid in water/ethanol solution. Boric acid is a relatively cheap boron source and boric acid mediated metal-organic framework prepared mild conditions compared to the other boron source based metal-organic framework. The synthesized compounds were characterized by FT-IR, p-XRD, TGA/DTA, elemental analysis, 13C-MAS NMR, 11B-NMR and single crystal measurements. The molecular formulas of compounds were estimated as C18H33B2Na5O28 and C8H24B2Na2O17 according to the structural analysis. The obtained complexes were thermally stable. Surface properties of inorganic polymer complexes were investigated by BET analyses and hydrogen storage properties of compound were also calculated.

Design, synthesis and docking studies of novel dipeptidyl boronic acid proteasome inhibitors constructed from αα- and αβ-amino acids.

PubMed

Shi, Jingmiao; Lei, Meng; Wu, Wenkui; Feng, Huayun; Wang, Jia; Chen, Shanshan; Zhu, Yongqiang; Hu, Shihe; Liu, Zhaogang; Jiang, Cheng

2016-04-15

A series of novel dipeptidyl boronic acid proteasome inhibitors constructed from αα- and αβ-amino acids were designed and synthesized. Their structures were elucidated by (1)H NMR, (13)C NMR, LC-MS and HRMS. These compounds were evaluated for their β5 subunit inhibitory activities of human proteasome. The results showed that dipeptidyl boronic acid inhibitors composed of αα-amino acids were as active as bortezomib. Interestingly, the activities of those derived from αβ-amino acids lost completely. Of all the inhibitors, compound 22 (IC50=4.82 nM) was the most potent for the inhibition of proteasome activity. Compound 22 was also the most active against three MM cell lines with IC50 values less than 5 nM in inhibiting cell growth assays. Molecular docking studies displayed that 22 fitted very well in the β5 subunit active pocket of proteasome. Copyright © 2016. Published by Elsevier Ltd.

Observation of Spontaneous C=C Bond Breaking in the Reaction between Atomic Boron and Ethylene in Solid Neon.

PubMed

Jian, Jiwen; Lin, Hailu; Luo, Mingbiao; Chen, Mohua; Zhou, Mingfei

2016-07-11

A ground-state boron atom inserts into the C=C bond of ethylene to spontaneously form the allene-like compound H2 CBCH2 on annealing in solid neon. This compound can further isomerize to the propyne-like HCBCH3 isomer under UV light excitation. The observation of this unique spontaneous C=C bond insertion reaction is consistent with theoretical predictions that the reaction is thermodynamically exothermic and kinetically facile. This work demonstrates that the stronger C=C bond, rather than the less inert C-H bond, can be broken to form organoboron species from the reaction of a boron atom with ethylene even at cryogenic temperatures. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultrafast preparation of a polyhedral oligomeric silsesquioxane-based ionic liquid hybrid monolith via photoinitiated polymerization, and its application to capillary electrochromatography of aromatic compounds.

PubMed

Zhang, Bingyu; Lei, Xiaoyun; Deng, Lijun; Li, Minsheng; Yao, Sicong; Wu, Xiaoping

2018-06-06

An ionic liquid hybrid monolithic capillary column was prepared within 7 min via photoinitiated free-radical polymerization of an ionic liquid monomer (1-butyl-3-vinylimidazolium-bis[(trifluoromethyl)sulfonyl]imide); VBIMNTF 2 ) and a methacryl substituted polyhedral oligomeric silsesquioxane (POSS-MA) acting as a cross-linker. The effects of composition of prepolymerization solution and initiation time on the porous structure and electroosmotic flow (EOF) of monolithic column were investigated. The hybrid monolith was characterized by scanning electron microscopy and FTIR. Owing to the introduction of a rigid nanosized POSS silica core and ionic liquids with multiple interaction sites, the monolithic column has a well-defined 3D skeleton morphology, good mechanical stability, and a stable anodic electroosmotic flow. The hybrid monolithic stationary phase was applied to the capillary electrochromatographic separation of various alkylbenzenes, phenols, anilines and polycyclic aromatic hydrocarbons (PAHs). The column efficiency is highest (98,000 plates/m) in case of alkylbenzenes. Mixed-mode retention mechanisms including hydrophobic interactions, π-π stacking, electrostatic interaction and electrophoretic mobility can be observed. This indicates the potential of this material in terms of efficient separation of analytes of different structural type. Graphical Abstract Preparation of a mixed-mode ionic liquid hybrid monolithic column via photoinitiated polymerization of methacryl substituted polyhedral oligomeric silsesquioxane (POSS-MA) and 1-butyl-3-vinylimidazolium-bis[(trifluoromethyl)sulfonyl]imide (VBIMNTF 2 ) ionic liquid for use in capillary electrochromatography.

Describing polyhedral tilings and higher dimensional polytopes by sequence of their two-dimensional components

PubMed Central

Nishio, Kengo; Miyazaki, Takehide

2017-01-01

Polyhedral tilings are often used to represent structures such as atoms in materials, grains in crystals, foams, galaxies in the universe, etc. In the previous paper, we have developed a theory to convert a way of how polyhedra are arranged to form a polyhedral tiling into a codeword (series of numbers) from which the original structure can be recovered. The previous theory is based on the idea of forming a polyhedral tiling by gluing together polyhedra face to face. In this paper, we show that the codeword contains redundant digits not needed for recovering the original structure, and develop a theory to reduce the redundancy. For this purpose, instead of polyhedra, we regard two-dimensional regions shared by faces of adjacent polyhedra as building blocks of a polyhedral tiling. Using the present method, the same information is represented by a shorter codeword whose length is reduced by up to the half of the original one. Shorter codewords are easier to handle for both humans and computers, and thus more useful to describe polyhedral tilings. By generalizing the idea of assembling two-dimensional components to higher dimensional polytopes, we develop a unified theory to represent polyhedral tilings and polytopes of different dimensions in the same light. PMID:28094254

Recent developments in and perspectives on three-coordinate boron materials: a bright future

PubMed Central

Ji, Lei; Griesbeck, Stefanie

2017-01-01

The empty pz-orbital of a three-coordinate organoboron compound leads to its electron-deficient properties, which make it an excellent π-acceptor in conjugated organic chromophores. The empty p-orbital in such Lewis acids can be attacked by nucleophiles, so bulky groups are often employed to provide air-stable materials. However, many of these can still bind fluoride and cyanide anions leading to applications as anion-selective sensors. One electron reduction generates radical anions. The π-acceptor strength can be easily tuned by varying the organic substituents. Many of these compounds show strong two-photon absorption (TPA) and two-photon excited fluorescence (TPEF) behaviour, which can be applied for e.g. biological imaging. Furthermore, these chromophores can be used as emitters and electron transporters in OLEDs, and examples have recently been found to exhibit efficient thermally activated delayed fluorescence (TADF). The three-coordinate organoboron unit can also be incorporated into polycyclic aromatic hydrocarbons. Such boron-doped compounds exhibit very interesting properties, distinct from their all-carbon analogues. Significant developments have been made in all of these areas in recent years and new applications are rapidly emerging for this class of boron compounds. PMID:28572897

Metalloid compounds as drugs

PubMed Central

Sekhon, B. S.

2013-01-01

The six elements commonly known as metalloids are boron, silicon, germanium, arsenic, antimony, and tellurium. Metalloid containing compounds have been used as antiprotozoal drugs. Boron-based drugs, the benzoxaboroles have been exploited as potential treatments for neglected tropical diseases. Arsenic has been used as a medicinal agent and arsphenamine was the main drug used to treat syphilis. Arsenic trioxide has been approved for the treatment of acute promyelocytic leukemia. Pentavalent antimonials have been the recommended drug for visceral leishmaniasis and cutaneous leishmaniasis. Tellurium (IV) compounds may have important roles in thiol redox biological activity in the human body, and ammonium trichloro (dioxoethylene-O, O’-)tellurate (AS101) may be a promising agent for the treatment of Parkinson’s disease. Organosilicon compounds have been shown to be effective in vitro multidrug-resistance reverting agents. PMID:24019824

High thermal conductivity materials for thermal management applications

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

Broido, David A.; Reinecke, Thomas L.; Lindsay, Lucas R.

High thermal conductivity materials and methods of their use for thermal management applications are provided. In some embodiments, a device comprises a heat generating unit (304) and a thermally conductive unit (306, 308, 310) in thermal communication with the heat generating unit (304) for conducting heat generated by the heat generating unit (304) away from the heat generating unit (304), the thermally conductive unit (306, 308, 310) comprising a thermally conductive compound, alloy or composite thereof. The thermally conductive compound may include Boron Arsenide, Boron Antimonide, Germanium Carbide and Beryllium Selenide.

Branched Polyhedral Oligomeric Silsesquioxane Nanoparticles Prepared via Strain-Promoted 1,3-Dipolar Cycloadditions

PubMed Central

Ledin, Petr A.; Xu, Weinan; Friscourt, Frédéric; Boons, Geert-Jan; Tsukruk, Vladimir V.

2016-01-01

Conjugation of small organic molecules and polymers to polyhedral oligosilsesquioxane (POSS) cores results in novel hybrid materials with unique physical characteristics. We report here an approach in which star-shaped organic–inorganic scaffolds bearing eight cyclooctyne moieties can be rapidly functionalized via strain-promoted azide–alkyne cycloaddition (SPAAC) to synthesize a series of nearly monodisperse branched core–shell nanoparticles with hydrophobic POSS cores and hydrophilic arms. We established that SPAAC is a robust method for POSS core octafunctionalization with the reaction rate constant of 1.9 × 10−2 M−1 s−1. Functionalization with poly(ethylene glycol) (PEG) azide, fluorescein azide, and unprotected lactose azide gave conjugates which represent different classes of compounds: polymer conjugates, fluorescent dots, and bioconjugates. These resulting hybrid compounds were preliminarily tested for their ability to self-assemble in solution and at the air–water interface. We observed the formation of robust smooth Langmuir monolayers with diverse morphologies. We found that polar lactose moieties are completely submerged into the subphase whereas the relatively hydrophobic fluorescein arms had extended conformation at the interface, and PEG arms were partially submerged. Finally, we observed the formation of stable micelles with sizes between 70 and 160 nm in aqueous solutions with size and morphology of the structures dependent on the molecular weight and the type of the peripheral hydrophilic moieties. PMID:26131712

Minimizing finite-volume discretization errors on polyhedral meshes

NASA Astrophysics Data System (ADS)

Mouly, Quentin; Evrard, Fabien; van Wachem, Berend; Denner, Fabian

2017-11-01

Tetrahedral meshes are widely used in CFD to simulate flows in and around complex geometries, as automatic generation tools now allow tetrahedral meshes to represent arbitrary domains in a relatively accessible manner. Polyhedral meshes, however, are an increasingly popular alternative. While tetrahedron have at most four neighbours, the higher number of neighbours per polyhedral cell leads to a more accurate evaluation of gradients, essential for the numerical resolution of PDEs. The use of polyhedral meshes, nonetheless, introduces discretization errors for finite-volume methods: skewness and non-orthogonality, which occur with all sorts of unstructured meshes, as well as errors due to non-planar faces, specific to polygonal faces with more than three vertices. Indeed, polyhedral mesh generation algorithms cannot, in general, guarantee to produce meshes free of non-planar faces. The presented work focuses on the quantification and optimization of discretization errors on polyhedral meshes in the context of finite-volume methods. A quasi-Newton method is employed to optimize the relevant mesh quality measures. Various meshes are optimized and CFD results of cases with known solutions are presented to assess the improvements the optimization approach can provide.

The acceleration of boron neutron capture therapy using multi-linked mercaptoundecahydrododecaborate (BSH) fused cell-penetrating peptide.

PubMed

Michiue, Hiroyuki; Sakurai, Yoshinori; Kondo, Natsuko; Kitamatsu, Mizuki; Bin, Feng; Nakajima, Kiichiro; Hirota, Yuki; Kawabata, Shinji; Nishiki, Tei-ichi; Ohmori, Iori; Tomizawa, Kazuhito; Miyatake, Shin-ichi; Ono, Koji; Matsui, Hideki

2014-03-01

New anti-cancer therapy with boron neutron capture therapy (BNCT) is based on the nuclear reaction of boron-10 with neutron irradiation. The median survival of BNCT patients with glioblastoma was almost twice as long as those receiving standard therapy in a Japanese BNCT clinical trial. In this clinical trial, two boron compounds, BPA (boronophenylalanine) and BSH (sodium borocaptate), were used for BNCT. BPA is taken up into cells through amino acid transporters that are expressed highly in almost all malignant cells, but BSH cannot pass through the cell membrane and remains outside the cell. We simulated the energy transfer against the nucleus at different locations of boron from outside the cell to the nuclear region with neutron irradiation and concluded that there was a marked difference between inside and outside the cell in boron localization. To overcome this disadvantage of BSH in BNCT, we used a cell-penetrating peptide system for transduction of BSH. CPP (cell-membrane penetrating peptide) is very common peptide domains that transduce many physiologically active substances into cells in vitro and in vivo. BSH-fused CPPs can penetrate the cell membrane and localize inside a cell. To increase the boron ratio in one BSH-peptide molecule, 8BSH fused to 11R with a dendritic lysine structure was synthesized and administrated to malignant glioma cells and a brain tumor mouse model. 8BSH-11R localized at the cell nucleus and showed a very high boron value in ICP results. With neutron irradiation, the 8BSH-11R administrated group showed a significant cancer killing effect compared to the 100 times higher concentration of BSH-administrated group. We concluded that BSH-fused CPPs were one of the most improved and potential boron compounds in the next-stage BNCT trial and 8BSH-11R may be applied in the clinical setting. Copyright © 2013 Elsevier Ltd. All rights reserved.

Photoelectron Spectroscopic and Theoretical Study of B-16(-) and B-16(2-): An All-Boron Naphthalene

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

Sergeeva, Alina P.; Zubarev, Dmitry Y.; Zhai, Hua Jin

Although boron clusters were experimentally studied shortly after the discovery of the fullerenes, their structural characterization was only possible fairly recently when we combined photoelectron spectroscopy (PES) and theoretical calculations to investigate the structures and bonding of boron clusters. Early theoretical studies indicated that small boron clusters do not assume cage-like structures, which are common in bulk boron and compounds; instead, planar or quasi-planar structures were suggested. The combined PES and theoretical studies show indeed boron clusters with up to 15 atom are planar, and only at B20 does a three-dimensional (3D) structure (double ring) become energetically competitive, whereas B20-more » still remains planar. A recent ion mobility and theoretical study showed that for Bn + the doublering 3D structure becomes competitive at B16 +7.« less

Insights into the use of gadolinium and gadolinium/boron-based agents in imaging-guided neutron capture therapy applications.

PubMed

Deagostino, Annamaria; Protti, Nicoletta; Alberti, Diego; Boggio, Paolo; Bortolussi, Silva; Altieri, Saverio; Crich, Simonetta Geninatti

2016-05-01

Gadolinium neutron capture therapy (Gd-NCT) is currently under development as an alternative approach for cancer therapy. All of the clinical experience to date with NCT is done with (10)B, known as boron neutron capture therapy (BNCT), a binary treatment combining neutron irradiation with the delivery of boron-containing compounds to tumors. Currently, the use of Gd for NCT has been getting more attention because of its highest neutron cross-section. Although Gd-NCT was first proposed many years ago, its development has suffered due to lack of appropriate tumor-selective Gd agents. This review aims to highlight the recent advances for the design, synthesis and biological testing of new Gd- and B-Gd-containing compounds with the task of finding the best systems able to improve the NCT clinical outcome.

Boronization on NSTX using Deuterated Trimethylboron

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

W.R. Blanchard; R.C. Gernhardt; H.W. Kugel

2002-01-28

Boronization on the National Spherical Torus Experiment (NSTX) has proved to be quite beneficial with increases in confinement and density, and decreases in impurities observed in the plasma. The boron has been applied to the interior surfaces of NSTX, about every 2 to 3 weeks of plasma operation, by producing a glow discharge in the vacuum vessel using deuterated trimethylboron (TMB) in a 10% mixture with helium. Special NSTX requirements restricted the selection of the candidate boronization method to the use of deuterated boron compounds. Deuterated TMB met these requirements, but is a hazardous gas and special care in themore » execution of the boronization process is required. This paper describes the existing GDC, Gas Injection, and Torus Vacuum Pumping System hardware used for this process, the glow discharge process, and the automated control system that allows for remote operation to maximize both the safety and efficacy of applying the boron coating. The administrative requirements and the detailed procedure for the setup, operation and shutdown of the process are also described.« less

Fine-tuning the nucleophilic reactivities of boron ate complexes derived from aryl and heteroaryl boronic esters.

PubMed

Berionni, Guillaume; Leonov, Artem I; Mayer, Peter; Ofial, Armin R; Mayr, Herbert

2015-02-23

Boron ate complexes derived from thienyl and furyl boronic esters and aryllithium compounds have been isolated and characterized by X-ray crystallography. Products and mechanisms of their reactions with carbenium and iminium ions have been analyzed. Kinetics of these reactions were monitored by UV/Vis spectroscopy, and the influence of the aryl substituents, the diol ligands (pinacol, ethylene glycol, neopentyl glycol, catechol), and the counterions on the nucleophilic reactivity of the boron ate complexes were examined. A Hammett correlation confirmed the polar nature of their reactions with benzhydrylium ions, and the correlation lg k(20 °C)=sN (E+N) was employed to determine the nucleophilicities of the boron ate complexes and to compare them with those of other borates and boronates. The neopentyl and ethylene glycol derivatives were found to be 10(4) times more reactive than the pinacol and catechol derivatives. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Is Boron a Prebiotic Element? A Mini-review of the Essentiality of Boron for the Appearance of Life on Earth

NASA Astrophysics Data System (ADS)

Scorei, Romulus

2012-02-01

Boron is probably a prebiotic element with special importance in the so-called "sugars world". Boron is not present on Earth in its elemental form. It is found only in compounds, e.g., borax, boric acid, kernite, ulexite, colemanite and other borates. Volcanic spring waters sometimes contain boron-based acids (e.g., boric, metaboric, tetraboric and pyroboric acid). Borates influence the formation of ribofuranose from formaldehyde that feeds the "prebiotic metabolic cycle". The importance of boron in the living world is strongly related to its implications in the prebiotic origins of genetic material; consequently, we believe that throughout the evolution of life, the primary role of boron has been to provide thermal and chemical stability in hostile environments. The complexation of boric acid and borates with organic cis-diols remains the most probable chemical mechanism for the role of this element in the evolution of the living world. Because borates can stabilize ribose and form borate ester nucleotides, boron may have provided an essential contribution to the "pre-RNA world".

IRIS TOXICOLOGICAL REVIEW AND SUMMARY DOCUMENTS FOR BORON AND COMPOUNDS (THIRD EXTERNAL REVIEW DRAFT 2002)

EPA Science Inventory

The U. S. EPA has conducted a peer review of the scientific basis supporting the health hazard and dose response assessment for Boron that will appear on the Agency's online data base, the Integrated Risk Information System (IRIS). Peer Review is meant to ensure that science is u...

Core-level photoabsorption study of defects and metastable bonding configurations in boron nitride

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

Jimenez, I.; Jankowski, A.F.; Terminello, L.J.

1997-04-01

Boron nitride is an interesting material for technological applications and for fundamental solid state physics investigations. It is a compound isoelectronic with carbon and, like carbon can possess sp{sup 2} and sp{sup 3} bonded phases resembling graphite and diamond. BN crystallizes in the sp{sup 2}-bonded hexagonal (h-BN), rhombohedral (r-BN) and turbostratic phases, and in the sp{sup 3}-bonded cubic (c-BN) and wurtzite (w-BN) phases. A new family of materials is obtained when replacing C-C pairs in graphite with isoelectronic B-N pairs, resulting in C{sub 2}BN compounds. Regarding other boron compounds, BN is exceptional in the sense that it has standard two-centermore » bonds with conventional coordination numbers, while other boron compounds (e.g. B{sub 4}C) are based on the boron icosahedron unit with three-center bonds and high coordination numbers. The existence of several allotropic forms and fullerene-like structures for BN suggests a rich variety of local bonding and poses the questions of how this affects the local electronic structure and how the material accommodates the stress induced in the transition regions between different phases. One would expect point defects to play a crucial role in stress accommodation, but these must also have a strong influence in the electronic structure, since the B-N bond is polar and a point defect will thus be a charged structure. The study of point defects in relationship to the electronic structure is of fundamental interest in these materials. Recently, the authors have shown that Near-Edge X-ray Absorption Fine Structure (NEXAFS) is sensitive to point defects in h-BN, and to the formation of metastable phases even in amorphous materials. This is significant since other phase identification techniques like vibrational spectroscopies or x-ray diffraction yield ambiguous results for nanocrystalline and amorphous samples. Serendipitously, NEXAFS also combines chemical selectivity with point defect sensitivity.« less

Comparison of the pharmacokinetics between L-BPA and L-FBPA using the same administration dose and protocol: a validation study for the theranostic approach using [18F]-L-FBPA positron emission tomography in boron neutron capture therapy.

PubMed

Watanabe, Tsubasa; Hattori, Yoshihide; Ohta, Youichiro; Ishimura, Miki; Nakagawa, Yosuke; Sanada, Yu; Tanaka, Hiroki; Fukutani, Satoshi; Masunaga, Shin-Ichiro; Hiraoka, Masahiro; Ono, Koji; Suzuki, Minoru; Kirihata, Mitsunori

2016-11-08

Boron neutron capture therapy (BNCT) is a cellular-level particle radiation therapy that combines the selective delivery of boron compounds to tumour tissue with neutron irradiation. L-p-Boronophenylalanine (L-BPA) is a boron compound now widely used in clinical situations. Determination of the boron distribution is required for successful BNCT prior to neutron irradiation. Thus, positron emission tomography with [ 18 F]-L-FBPA, an 18 F-labelled radiopharmaceutical analogue of L-BPA, was developed. However, several differences between L-BPA and [ 18 F]-L-FBPA have been highlighted, including the different injection doses and administration protocols. The purpose of this study was to clarify the equivalence between L-BPA and [ 19 F]-L-FBPA as alternatives to [ 18 F]-L-FBPA. SCC-VII was subcutaneously inoculated into the legs of C3H/He mice. The same dose of L-BPA or [ 19 F]-L-FBPA was subcutaneously injected. The time courses of the boron concentrations in blood, tumour tissue, and normal tissue were compared between the groups. Next, we administered the therapeutic dose of L-BPA or the same dose of [ 19 F]-L-FBPA by continuous infusion and compared the effects of the administration protocol on boron accumulation in tissues. There were no differences between L-BPA and [ 19 F]-L-FBPA in the transition of boron concentrations in blood, tumour tissue, and normal tissue using the same administration protocol. However, the normal tissue to blood ratio of the boron concentrations in the continuous-infusion group was lower than that in the subcutaneous injection group. No difference was noted in the time course of the boron concentrations in tumour tissue and normal tissues between L-BPA and [ 19 F]-L-FBPA. However, the administration protocol had effects on the normal tissue to blood ratio of the boron concentration. In estimating the BNCT dose in normal tissue by positron emission tomography (PET), we should consider the possible overestimation of the normal tissue to blood ratio of the boron concentrations derived from the values measured by PET on dose calculation.

Effects of dietary boron and arsenic on the behavior of mallard ducklings

USGS Publications Warehouse

Whitworth, M.R.; Pendleton, G.W.; Hoffman, D.J.; Camardese, M.B.

1991-01-01

High concentrations of boron and arsenic have been associated with irrigation drain water and aquatic plants consumed by waterfowl. Both compounds affect the central nervous sytem and cause generalized physiological distress in mammals and waterfowl. We examined sublethal efefcts of boron and arsenic on the behavior of developing mallard ducklings (Anas Platyrhnchos). Day-old ducklings received an untreated diet (control) or a diet containing 100, 400, or 1,600 ppm boron, added as boric acid, or 30, 100, or 300 ppm arsenic, added as sodium aresenate. Activity schedules and behavior durations were analyzed for effects at the various treatment levels. Both boron and arsenic at the highest levels had significant effects on the activity schedules of developing ducklings, including increased time at rest and under the provided heat lamp. We also observed decreases in the amount of time treated ducklings spent in alert behaviors and in the water in comparison to control ducklings. High levels of boron (1,600 ppm) increased feeding time overall but did not increase the amount of food consumed. Arsenic had no effect on feeding behavior. There were no differences found in the durations of behaviors as a result of treatment. These findings, in combination with reported effects on the growth and physiology of ducklings under identical treatments, suggest that reported concentrations of these compounds in aquatic plants in the Central Valley of California could adversly affect normal duckling development and survival.

Realizing performance improvement of blue thermally activated delayed fluorescence molecule DABNA by introducing substituents on the para-position of boron atom

NASA Astrophysics Data System (ADS)

Gao, Ying; Pan, Qing-Qing; Zhao, Liang; Geng, Yun; Su, Tan; Gao, Ting; Su, Zhong-Min

2018-06-01

To seek effective thermally activated delayed fluorescence (TADF) molecules, we have designed compounds 1-4 by introducing substituents on the para-position of boron atom of blue TADF molecule (DABNA-1). The results indicate that 1-4 not only retain the blue emission from 454 to 466 nm, but also possess larger oscillator strength. Besides, the fluorescence radiative rates (kr) of 1-4 are higher than that of DABNA-1. The singlet-triplet energy splitting (ΔΕST) values of designed compounds are smaller than that of DABNA-1. Taking both ΔΕST and kr into account, designed compounds show better TADF performances, indicating their potential as TADF materials.

Semiconducting boron carbide polymers devices for neutron detection

NASA Astrophysics Data System (ADS)

Echeverria, Elena; Pasquale, Frank L.; James, Robinson; Colón Santana, Juan A.; Adenwalla, Shireen; Kelber, Jeffry A.; Dowben, Peter A.

2014-03-01

Boron carbide materials, with aromatic compounds included, prove to be effective materials as solid state neutron detector detectors. The I-V characteristic curves for these heterojunction diodes with silicon show that these modified boron carbides, in the presence of these linking groups such as 1,4-diaminobenzene (DAB) and pyridine, are p-type. Cadmium was used as shield to discriminate between neutron-induced signals and thermal neutrons, and thermal neutron capture is evident, while gamma detection was not realized. Neutron detection signals for these heterojunction diode were observed, a measurable zero bias current noted, even without complete electron-hole collection. This again illustrates that boron carbide devices can be considered a neutron voltaic.

Adventures in main group chemistry: From molecules to materials

NASA Astrophysics Data System (ADS)

Findlater, Michael

Three synthetic methods have been explored for the preparation of several novel boron-substituted amidinates and guanidinates. The extension of heterocumulene insertion chemistries to boron-aryl, boron-metallocene and boron-transition metal moieties has also been achieved and the mechanism of such insertions is addressed via density functional theory modeling techniques. The reactivity of these complexes is also explored, mainly through halide abstraction methodologies to generate boron cations, which are potent Lewis Acids and may be useful in promoting organic transformations or in the polymerization of ethylene. The synthesis and characterization of the elusive monomeric low valent carbenoid boron(I), a compound with a formal lone pair located upon the boron center, has been lacking. The suitability of the guanidinate ligand system to support such a species is also discussed and a combined experimental and theoretical approach to this highly topical problem is also presented. Thirdly, the use of photovoltaics (devices which convert solar energy directly into electricity) as an alternative source of energy outwith fossil fuel technologies is a rapidly growing area of interest. Initial efforts to use a novel approach, which incorporates inorganic nanocrystals wired into a conducting polymer matrix, are also presented. Successful synthetic approaches to the gallium, aluminum and indium monomeric precursors suitable for electropolymerization were developed. These compounds proved to be effective starting points for the generation of conducting polymers with embedded III/VI (Ga2S 3) nanocrystals with further studies currently underway as to their III/V (InP, GaAs) compatriots. Finally, a retrospective of projects that may best be described in terms of the moniker "Loose Ends and Future Directions" will be presented. The aim of which will be to serve as a useful guidepost for further studies in the fields and topics discussed.

[Formian 2 and a Formian Function for Processing Polyhedric Configurations

NASA Technical Reports Server (NTRS)

Nooshin, H.; Disney, P. L.; Champion, O. C.

1996-01-01

The work began in October 1994 with the following objectives: (1) to produce an improved version of the programming language Formian; and (2) to create a means for computer aided handling of polyhedric configurations including the geodesic forms of all kinds. A new version of Formian, referred to as Formian 2, is being implemented to operate in the Windows 95 environment. It is an ideal tool for configuration management in a convenient and user-friendly manner. The second objective was achieved by creating a standard Formian function that allows convenient handling of all types of polyhedric configurations. In particular, the focus of attention is on polyhedric configurations that are of importance in architectural and structural engineering fields. The natural medium for processing of polyhedric configurations is a programming language that incorporates the concepts of 'formex algebra'. Formian is such a programming language in which the processing of polyhedric configurations can be carried out using the standard elements of the language. A description of this function is included in a chapter for a book entitled 'Beyond the Cube: the Architecture of space Frames and Polyhedra'. A copy of this chapter is appended.

Elastic energy of polyhedral bilayer vesicles

PubMed Central

Haselwandter, Christoph A.; Phillips, Rob

2011-01-01

In recent experiments the spontaneous formation of hollow bilayer vesicles with polyhedral symmetry has been observed. On the basis of the experimental phenomenology it was suggested that the mechanism for the formation of bilayer polyhedra is minimization of elastic bending energy. Motivated by these experiments, we study the elastic bending energy of polyhedral bilayer vesicles. In agreement with experiments, and provided that excess amphiphiles exhibiting spontaneous curvature are present in sufficient quantity, we find that polyhedral bilayer vesicles can indeed be energetically favorable compared to spherical bilayer vesicles. Consistent with experimental observations we also find that the bending energy associated with the vertices of bilayer polyhedra can be locally reduced through the formation of pores. However, the stabilization of polyhedral bilayer vesicles over spherical bilayer vesicles relies crucially on molecular segregation of excess amphiphiles along the ridges rather than the vertices of bilayer polyhedra. Furthermore, our analysis implies that, contrary to what has been suggested on the basis of experiments, the icosahedron does not minimize elastic bending energy among arbitrary polyhedral shapes and sizes. Instead, we find that, for large polyhedron sizes, the snub dodecahedron and the snub cube both have lower total bending energies than the icosahedron. PMID:21797397

A Boron Protecting Group Strategy for 1,2-Azaborines.

PubMed

Baggett, Andrew W; Liu, Shih-Yuan

2017-10-25

Upon reaction with either molecular oxygen or di-tert-butylperoxide in the presence of a simple copper(I) salt and an alcohol, a range of 1,2-azaborines readily exchange B-alkyl or B-aryl moieties for B-alkoxide fragments. This transformation allows alkyl and aryl groups to serve for the first time as removable protecting groups for the boron position of 1,2-azaborines during reactions that are not compatible with the easily modifiable B-alkoxide moiety. This reaction can be applied to synthesize a previously inaccessible BN isostere of ethylbenzene, a compound of interest in biomedical research. A sequence of epoxide ring opening using N-deprotonated 1,2-azaborines followed by an intramolecular version of the boron deprotection reaction can be applied to access the first examples of BN isosteres of dihydrobenzofurans and benzofurans, classes of compounds that are important to medicinal chemistry and natural product synthesis.

The role of boron in flame-retardant treatments

Treesearch

S. L. LeVan; H. C. Tran

1990-01-01

Flame retardants for wood alter the combustion properties of wood to reduce surface flame spread. Flame retardant chemicals cause acid catalyzed dehydration reactions in wood to facilitate the formation of char and reduce the effective heat of combustion, resulting in lower heat release and flame spread. Boron compounds can also form glassy fiis that may inhibit mass...

STATISTICAL ANALYSIS OF SPECTROPHOTOMETRIC DETERMINATIONS OF BORON; Estudo Estatistico de Determinacoes Espectrofotometricas de Boro

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

Lima, F.W.; Pagano, C.; Schneiderman, B.

1959-07-01

Boron can be determined quantitatively by absorption spectrophotometry of solutions of the red compound formed by the reaction of boric acid with curcumin. This reaction is affected by various factors, some of which can be detected easily in the data interpretation. Others, however, provide more difficulty. The application of modern statistical method to the study of the influence of these factors on the quantitative determination of boron is presented. These methods provide objective ways of establishing significant effects of the factors involved. (auth)

BIO-PRECIPITATES PRODUCED BY TWO AUTOCHTHONOUS BORON TOLERANT STREPTOMYCES STRAINS.

PubMed

Moraga, Norma Beatriz; Irazusta, Verónica; Amoroso, María Julia; Rajal, Verónica Beatriz

2017-08-01

Boron is widespread in the environment. Although contaminated soils are hard to recover different strategies have been investigated in the recent years. Bioremediation is one of the most studied because it is eco-friendly and less costly than other techniques. The aim of this research was to evaluate whether two Streptomyces strains isolated from boron contaminated soils in Salta, Argentina, may help remove boron from such soils. For this, they were grown in different liquid media with two boric acid concentrations and their specific growth rate and specific boric acid consumption rate were determined. Both strains showed great capacity to remove boron from the media. Increasing boric acid concentrations affected negatively the specific growth rate, however the specific boric acid consumption rate was superior. Boron bio-precipitates were observed when the strains grew in the presence of boric acid, probably due to an adaptive response developed by the cells to the exposure, for which many proteins were differentially synthetized. This strategy to tolerate high concentrations of boron by immobilizing it in bio-precipitates has not been previously described, to the best of our knowledge, and may have a great potential application in remediating soils contaminated with boron compounds.

Raman effect in icosahedral boron-rich solids

PubMed Central

Werheit, Helmut; Filipov, Volodymyr; Kuhlmann, Udo; Schwarz, Ulrich; Armbrüster, Marc; Leithe-Jasper, Andreas; Tanaka, Takaho; Higashi, Iwami; Lundström, Torsten; Gurin, Vladimir N; Korsukova, Maria M

2010-01-01

We present Raman spectra of numerous icosahedral boron-rich solids having the structure of α-rhombohedral, β-rhombohedral, α-tetragonal, β-tetragonal, YB66, orthorhombic or amorphous boron. The spectra were newly measured and, in some cases, compared with reported data and discussed. We emphasize the importance of a high signal-to-noise ratio in the Raman spectra for detecting weak effects evoked by the modification of compounds, accommodation of interstitial atoms and other structural defects. Vibrations of the icosahedra, occurring in all the spectra, are interpreted using the description of modes in α-rhombohedral boron by Beckel et al. The Raman spectrum of boron carbide is largely clarified. Relative intra- and inter-icosahedral bonding forces are estimated for the different structural groups and for vanadium-doped β-rhombohedral boron. The validity of Badger's rule is demonstrated for the force constants of inter-icosahedral B–B bonds, whereas the agreement is less satisfactory for the intra-icosahedral B–B bonds. PMID:27877328

Controlling the reaction between boron-containing sealing glass and a lanthanum-containing cathode by adding Nb2O5

NASA Astrophysics Data System (ADS)

Zhao, Dandan; Fang, Lihua; Tang, Dian; Zhang, Teng

2016-09-01

In solid oxide fuel cell (SOFC) stacks, the volatile boron species present in the sealing glass often react with the lanthanum-containing cathode, degrading the activity of the cathode (this phenomenon is known as boron poisoning). In this work, we report that this detrimental reaction can be effectively reduced by doping bismuth-containing borosilicate sealing glass-ceramic with a niobium dopant. The addition of Nb2O5 not only condenses the [SiO4] structural units in the glass network, but also promotes the conversion of [BO3] to [BO4]. Moreover, the Nb2O5 dopant enhances the formation of boron-containing phases (Ca3B2O6 and CaB2Si2O8), which significantly reduces the volatility of boron compounds in the sealing glass, suppressing the formation of LaBO3 in the reaction couple between the glass and the cathode. The reported results provide a new approach to solve the problem of boron poisoning.

Vapor Grown Carbon Fiber/Hybrid Organic-Inorganic Matrix Composites. Nanometer-sized Silsesquiozane Phase Chemically Bound in a Matrix

DTIC Science & Technology

2006-04-28

for this work included: (1) Polyhedral oligomeric silsesquioxane chemicals (POSS macromers) of three types: those with no polymerizable group, those...Polyhedral oligomeric silsesquioxane chemicals (POSS macromers) of three types: those with no polymerizable group, those with one reactive function and...atoms and ions. Polyhedral Oligomeric Silsesquioxane/Organic Matrix Nanocomposites Major reviews of POSS polymer and copolymer chemistry. The first

Mesoscale studies of ionic closed membranes with polyhedral geometries

DTIC Science & Technology

2016-07-25

assembled ionic amphiphiles.4 The most commonly observed polyhedral symmetry in self-organized homogeneous structures is the icosahedron, which has the...Possible buckled structures can be obtained considering components A, B with intermediate compositions f of the B component such that the stable shape...lines aids the faceting of the shell into a polyhedral structure often with three-fold vertices. Such vertices are joined together by sharp edges

INEL BNCT Research Program, March/April 1992

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

Venhuizen, J.R.

1992-09-01

This report presents summaries for two months of current research for the Idaho National Engineering Laboratory (INEL) Boron Neutron Capture Therapy (BNCT) Program. Information is presented on development and murino screening experiments of low-density lipoprotein, carboranyl alanine, and liposome boron containing compounds. Pituitary tumor call culture studies are described. Drug stability, pharmacology and toxicity evaluation of borocaptate sodium (BSH) and boronopheoylalanine (BPA) are described. Treatment protocol development via the large animal (canine) model studies and physiological response evaluation in rats are discussed. Supporting technology development and technical support activities for boron drug biochemistry and purity, analytical and measurement dosimetry, andmore » noninvasive boron quantification activities are included for the current time period. Current publications for the two months are listed.« less

Super-hard cubic BN layer formation by nitrogen ion implantation

NASA Astrophysics Data System (ADS)

Komarov, F. F.; Pilko, V. V.; Yakushev, V. A.; Tishkov, V. S.

1994-11-01

Microcrystalline and amorphous boron thin films were implanted with nitrogen ions at energies from 25 to 125 keV and with doses from 2 × 10 17 to 1 × 10 18 at.cm 2 at temperatures below 200°C. The structure of boron nitride phases after ion implantation, formation of phases and phase transformations were investigated by TEM and TED methods. The cubic boron nitride phase is revealed. The microhardness of the formed films was satisfactorily explained in terms of chemical compound formation by polyenergetic ion implantation. The influence of the copper impurity on the formation of the cubic boron nitride phase is demonstrated. It has also been shown that low concentrations of copper promote cubic BN boundary formation.

The Chemistry of Formazan Dyes: Synthesis and Characterization of a Stable Verdazyl Radical and a Related Boron-Containing Heterocycle

ERIC Educational Resources Information Center

Berry, David E.; Hicks, Robin G.; Gilroy, Joe B.

2009-01-01

This experiment describes the synthesis and characterization of a formazan dye, and its subsequent conversion to a stable verdazyl radical and a boron-nitrogen heterocycle (boratatetrazine). Each of these compounds is intensely colored and is prepared and handled under aerobic conditions, which often surprises students as free radicals are…

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

Vertically Aligned BCN Nanotubes as Efficient Metal-Free Electrocatalysts for the Oxygen Reduction Reaction: A Synergetic Effect by Co-Doping with Boron and Nitrogen

DTIC Science & Technology

2011-01-01

difficulties.[20–22] In most of the previous studies, ternary compounds (e.g., ferrocene , melamine, boron oxide) were used as precursors for nanotube...the onset/peak potential and current density, though the VA- NCNT (4.1% N) prepared by pyrolysis of ferrocene under ammonia (see Supporting

PRODUCTION OF BORON CARBIDES IN CARBON REDUCTION OF RARE EARTH MIXTURES WITH BORON (in Russian)

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

Markovskii, L.Ya.; Vekshina, N.V.; Pron, G.F.

1962-09-01

Carbon reduction of CeO/sub 2/ or La/sub 2/O/sub 3/ mixtures with B at 1900 to 2000 deg C produced borocarbides similar to Ca, Sr, and Ba borocarbides. The synthesized products contained considerable amounts of chemically unstable compounds that in hydrolytic disintegration transform into a boronmetal solution and carbon. (R.V.J.)

A three-dimensional polyhedral unit model for grain boundary structure in fcc metals

NASA Astrophysics Data System (ADS)

Banadaki, Arash Dehghan; Patala, Srikanth

2017-03-01

One of the biggest challenges in developing truly bottom-up models for the performance of polycrystalline materials is the lack of robust quantitative structure-property relationships for interfaces. As a first step in analyzing such relationships, we present a polyhedral unit model to classify the geometrical nature of atomic packing along grain boundaries. While the atomic structure in disordered systems has been a topic of interest for many decades, geometrical analyses of grain boundaries has proven to be particularly challenging because of the wide range of structures that are possible depending on the underlying macroscopic crystallographic character. In this article, we propose an algorithm that can partition the atomic structure into a connected array of three-dimensional polyhedra, and thus, present a three-dimensional polyhedral unit model for grain boundaries. A point-pattern matching algorithm is also provided for quantifying the distortions of the observed grain boundary polyhedral units. The polyhedral unit model is robust enough to capture the structure of high-Σ, mixed character interfaces and, hence, provides a geometric tool for comparing grain boundary structures across the five-parameter crystallographic phase-space. Since the obtained polyhedral units circumscribe the voids present in the structure, such a description provides valuable information concerning segregation sites within the grain boundary. We anticipate that this technique will serve as a powerful tool in the analysis of grain boundary structure. The polyhedral unit model is also applicable to a wide array of material systems as the proposed algorithm is not limited by the underlying lattice structure.

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

Present knowledge of electronic properties and charge transport of icosahedral boron-rich solids

NASA Astrophysics Data System (ADS)

Werheit, Helmut

2009-06-01

B12 icosahedra or related structure elements determine the different modifications of elementary boron and numerous boron-rich compounds from α-rhombohedral boron with 12 to YB66 type with about 1584 atoms per unit cell. Typical are well-defined high density intrinsic defects: Jahn-Teller distorted icosahedra, vacancies, incomplete occupancies, statistical occupancies and antisite defects. The correlation between intrinsic point defects and electron deficiencies solves the discrepancy between theoretically predicted metal and experimentally proved semiconducting character. The electron deficiencies generate split-off valence states, which are decisive for the electronic transport, a superposition of band-type and hopping-type conduction. Their share depends on actual conditions like temperature or pre-excitation. The theoretical model of bipolaron hopping is incompatible with numerous experiments. Technical application of the typically p-type icosahedral boron-rich solids requires suitable n-type counterparts; doping and other possibilities are discussed.

Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles study.

PubMed

Irfan, Ahmad; Chaudhry, Aijaz Rasool; Muhammad, Shabbir; Al-Sehemi, Abdullah G

2017-08-01

Owing to their excellent electrochemical properties, graphenes found applications in several fields ranging from semiconductors, solar cells, field effect transistors, and nanoscale electronic devices as well as in nonlinear optical (NLO) applications. The structural features, electro-optical, charge transport and nonlinear optical properties of the boron-doped graphene (BG) compound 1 were studied using density functional theory methods The BG compound comprises a central electron deficient site of boron atoms, which can serve as electron acceptor while terminal alkoxy groups as donors leading to powerful donor-π-acceptor (D-π-A) configuration. The experimental crystal structure was successfully reproduced by optimized ground state geometry at PBE0/6-311G* level of theory for isolated molecule. The experimental lattice parameters, geometries, crystal presentation and alignment of molecules in the unit cells as well as their packing orientation of BG compound 1 was also efficiently reproduced by applying periodic boundary conditions (PBC) at PBE level. The comprehensive intramolecular charge transfer (CT) was realized from terminal rings of the HOMO to the electron deficient sites of boron atoms of the LUMO. The nature of BG compound 1 might be more towards hole transport even though its hole reorganization energy is twice than that of the electron one due to the significant higher hole transfer integral values. The superior hole transfer integrals and intrinsic mobility values of the BG compound 1 might lead remarkable hole transport contender as compared to many other organic materials. The narrow band gap, density of states profile, dielectric function, uniform conductivity functions and noteworthy electronic as well as CT properties revealed that the BG compound 1 might be proficient optoelectronic contestant having intermolecular CT as well as intramolecular CT with optimal stability. A comparison of static third-order polarizability <γ> of BG compound 1, as calculated in present investigation, was also performed with some standard NLO molecules as well as graphene nanoflakes. Moreover, longitudinal component γ zzzz of parent compound has been found 12 and 4 times larger than those of previously reported open-shell poly aromatic hydrocarbons (PAH). Interestingly, by increasing the donor ability, i.e., introduction of C 2 H 2 PhNH 2 groups in place of OC 4 H 9 groups (BG compound 3) at terminal positions boosts the <γ> amplitude∼8 times than that of its parent BG compound 1. Copyright © 2017 Elsevier Inc. All rights reserved.

Phenylene bridged boron-nitrogen containing dendrimers.

PubMed

Proń, Agnieszka; Baumgarten, Martin; Müllen, Klaus

2010-10-01

The synthesis and characterization of novel phenylene bridged boron-nitrogen containing π-conjugated dendrimers N3B6 and N3B3, with peripheral boron atoms and 1,3,5-triaminobenzene moiety as a core, are presented. UV-vis absorption and emission measurements reveal that the optical properties of the resulting compounds can be controlled by changing the donor/acceptor ratio: a 1:1 ratio results in a more efficient charge transfer than the 1:2 ratio. This was proven by the red shift of the emission maxima and the stronger solvatochromic effect in N3B3 compared to N3B6.

CE with a boron-doped diamond electrode for trace detection of endocrine disruptors in water samples.

PubMed

Browne, Damien J; Zhou, Lin; Luong, John H T; Glennon, Jeremy D

2013-07-01

Off-line SPE and CE coupled with electrochemical detection have been used for the determination of bisphenol A (BPA), bisphenol F, 4-ethylphenol, and bisphenol A diglycidyl ether in bottled drinking water. The use of boron-doped diamond electrode as an electrochemical detector in amperometric mode that provides a favorable analytical performance for detecting these endocrine-disrupting compounds, such as lower noise levels, higher peak resolution with enhanced sensitivity, and improved resistance against electrode passivation. The oxidative electrochemical detection of the endocrine-disrupting compounds was accomplished by boron-doped diamond electrode poised at +1.4 V versus Ag/AgCl without electrode pretreatment. An off-line SPE procedure (Bond Elut® C18 SPE cartridge) was utilized to extract and preconcentrate the compounds prior to separation and detection. The minimum concentration detectable for all four compounds ranged from 0.01 to 0.06 μM, having S/N equal to three. After exposing the plastic bottle water container under sunlight for 7 days, the estimated concentration of BPA in the bottled drinking water was estimated to be 0.03 μM. This proposed approach has great potential for rapid and effective determination of BPA content present in water packaging of plastic bottles that have been exposed to sunlight for an extended period of time. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Alternative Process for Manufacturing of Thin Layers of Boron for Neutron Measurement

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

Auge, Gregoire; Partyka, Stanislas; Guerard, Bruno

Due to the worldwide shortage of helium 3, Boron-lined proportional counters are developed intensively by several groups. Up to now, thin boron containing layers for neutron detectors are essentially produced by sputtering of boron carbide (B{sub 4}C). This technology provides high quality films but it is slow and expensive. Our paper describes a novel and inexpensive technology for producing boron layers. This technology is based on chemical synthesis of boron 10 nanoparticles, and on electrophoretic deposition of these particles on metallic plates, or on metallic pieces with more complex shapes. The chemical synthesis consists in: - Heating boron 10 withmore » lithium up to 700 deg. C under inert atmosphere: an intermetallic compound, LiB, is produced; - Hydrolysing this intermetallic compound: LiB + H{sub 2}O → B + Li{sup +} + OH{sup -} + 1/2H{sub 2}, where B is under the form of nanoparticles; - Purifying the suspension of boron nanoparticles in water, from lithium hydroxide, by successive membrane filtrations; - Evaporating the purified suspension, in order to get a powder of nanoparticles. The obtained nanoparticles have size around 300 nm, with a high porosity, of about 50%. This particle size is equivalent to about 150 nm massive particles. The nanoparticles are then put into suspension in a specific solvent, in order to perform deposition on metallic surfaces, by electrophoretic method. The solvent is chosen so that it is not electrolysed even under voltages of several tens of volts. An acid is dissolved into the solvent, so that the nanoparticles are positively charged. Deposition is performed on the cathode within about 10 min. The cathode could be an aluminium plate, or a nickel coated aluminium plate. Homogeneous deposition may also be performed on complex shapes, like grids in a Multigrid detector. A large volume of pieces, can be coated with a Boron-10 film in a few hours. The thickness of the layer can be adjusted according to the required neutron detection characteristics, between 0,5 to 5 μm (equivalent to 0,25 to 2.5 massive layer). The thickness is homogenous within a ±20% range. The layer is an almost pure {sup 10}B layer (90%). The ratio of the amount of deposed boron 10 to the amount of raw boron 10 used is more than 80%. Hence, another advantage of this technique is that Boron 10 will be deposited on the cathodes only, without loss of this expensive material. 2 grids of a Multi-Grid detector have been coated with pure Boron by using this technique. The film structure has been analysed with a microscope and the detector has been tested on a monochromatic neutron beam line. Preliminary results will be shown. (authors)« less

Synthesis of Energetic Materials

DTIC Science & Technology

1988-03-01

reacted with excess ethyl urethane, under boron trifluoride catalysis in trifluoroacetic acid, to give the 2,3-bisurethane derivative. This conversion... trifluoride catalysis, to give none of the imidazolidine (1), but only a low yield of the MEDINA derivative (5), via an obscure reaction pathway...trifluoroacetic acid under boron trifluoride catalysis. The major product, isolated in high yield, was the tricyclic ether (18). In fact, compound 18 was

A Silatetragallane-Classical Heterobicyclopentane or closo-Polyhedron?

PubMed

Linti, Gerald; Köstler, Wolfgang; Piotrowski, Holger; Rodig, Alexander

1998-09-04

Classical and nonclassical can be used to describe the bonding in the polyhedral Ga 4 Si framework of the silagallanate ion [Me 3 SiSi{GaSi(SiMe 3 ) 3 } 3 GaSiMe 3 ] - (the GaSi framework is depicted in the picture). This is the result of density functional calculations that were carried out on model compounds. The cluster was obtained by ultrasonication of gallium and iodine and subsequent reaction with (Me 3 Si) 3 Li(thf) 3 . © 1998 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

Boron Hazards to Fish, Wildlife, and Invertebrates: A Synoptic Review

USGS Publications Warehouse

Eisler, R.

1990-01-01

Ecological and toxicological aspects of boron (B) in the environment are reviewed, with emphasis on natural resources. Subtopics covered include environmental chemistry, background concentrations, effects, and current recommendations for the protection of living resources. Boron is not now considered essential in mammalian nutrition, although low dietary levels protect against fluorosis and bone demineralization. Excessive consumption (i.e., >1,000 mg B/kg diet, >15 mg B/kg body weight daily, >1.0 mg B/L drinking water, or >210 mg B/kg body weight in a single dose) adversely affects growth, survival, or reproduction in sensitive mammals. Boron and its compounds are potent teratogens when applied directly to the mammalian embryo, but there is no evidence of mutagenicity or carcinogenicity. Boron`s unique affinity for cancerous tissues has been exploited in neutron capture radiation therapy of malignant human brain tumors. Current boron criteria recommended for the protection of sensitive species include <0.3 mg B/L in crop irrigation waters, <1.0 mg B/L for aquatic life, <5.0 mg B/L in livestock drinking waters, <30 mg B/kg in waterfowl diets, and <100 mg B/kg in livestock diets.

Fluorescent sensors based on boronic acids

NASA Astrophysics Data System (ADS)

Cooper, Christopher R.; James, Tony D.

1999-05-01

Sensor systems have long been needed for detecting the presence in solution of certain chemically or biologically important species. Sensors are used in a wide range of applications from simple litmus paper that shows a single color change in acidic or basic environments to complex biological assays that use enzymes, antibodies and antigens to display binding events. With this work the use of boronic acids in the design and synthesis of sensors for saccharides (diols) will be presented. The fluorescent sensory systems rely on photoinduced electron transfer (PET) to modulate the observed fluorescence. When saccharides form cyclic boronate esters with boronic acids, the Lewis acidity of the boronic acid is enhanced and therefore the Lewis acid-base interaction between the boronic acid and a neighboring amine is strengthened. The strength of this acid-base interaction modulates the PET from the amine (acting as a quencher) to anthracene (acting as a fluorophore). These compounds show increased fluorescence at neutral pH through suppression of the PET from nitrogen to anthracene on saccharide binding. The general strategy for the development of saccharide selective systems will be discussed. The potential of the boronic acid based systems will be illustrated using the development of glucose and glucosamine selective fluorescent sensors as examples.

Boronic species as promising inhibitors of the Staphylococcus aureus NorA efflux pump: study of 6-substituted pyridine-3-boronic acid derivatives.

PubMed

Fontaine, Fanny; Héquet, Arnaud; Voisin-Chiret, Anne-Sophie; Bouillon, Alexandre; Lesnard, Aurélien; Cresteil, Thierry; Jolivalt, Claude; Rault, Sylvain

2015-05-05

In response to the extensive use of antibiotics, bacteria have evolved numerous mechanisms of defense against antimicrobial agents. Among them, extrusion of the antimicrobial agents outside the bacterial cell through efflux pumps is a major cause of concern. At first limited to one or few structurally-related antibiotics, bacterial resistance have then progressed towards cross-resistance between different classes of antibiotics, leading to multidrug-resistant microorganisms. Emergence of these pathogens requires development of novel therapeutic strategies and inhibition of efflux pumps appears to be a promising strategy that could restore the potency of existing antibiotics. NorA is the most studied chromosomal efflux pump of Staphylococcus aureus; it is known to be implied in resistance of Methicillin-resistant S. aureus (MRSA) strains against a wide range of unrelated substrates, including hydrophilic fluoroquinolones. Starting from 6-benzyloxypyridine-3-boronic acid I that we previously identified as a potential inhibitor of the NorA efflux pump against the NorA-overexpressing S. aureus 1199B strain (SA1199B), we describe here the synthesis and biological evaluation of a series of 6-(aryl)alkoxypyridine-3-boronic acids. 6-(3-Phenylpropoxy)pyridine-3-boronic acid 3i and 6-(4-phenylbutoxy)pyridine-3-boronic acid 3j were found to potentiate ciprofloxacin activity by a 4-fold increase compared to the parent compound I. In addition, it has been shown that both compounds promote Ethidium Bromide (EtBr) accumulation in SA1199B, thus corroborating their potential mode of action as NorA inhibitors. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Anomalous stress response of ultrahard WB n compounds

DOE PAGES

Li, Quan; Zhou, Dan; Zheng, Weitao; ...

2015-10-29

Boron-rich tungsten borides are premier prototypes of a new class of ultrahard compounds. Here, we show by first-principles calculations that their stress-strain relations display surprisingly diverse and anomalous behavior under a variety of loading conditions. Most remarkable is the dramatically changing bonding configurations and deformation modes with rising boron concentration in WB n (n=2, 3, 4), resulting in significantly different stress responses and unexpected indentation strength variations. This novel phenomenon stems from the peculiar structural arrangements in tungsten borides driven by boron’s ability to form unusually versatile bonding states. Our results elucidate the intriguing deformation mechanisms that define a distinctmore » type of ultrahard material. Here, these new insights underscore the need to explore unconventional structure-property relations in a broad range of transition-metal light-element compounds.« less

How to describe disordered structures

PubMed Central

Nishio, Kengo; Miyazaki, Takehide

2016-01-01

Disordered structures such as liquids and glasses, grains and foams, galaxies, etc. are often represented as polyhedral tilings. Characterizing the associated polyhedral tiling is a promising strategy to understand the disordered structure. However, since a variety of polyhedra are arranged in complex ways, it is challenging to describe what polyhedra are tiled in what way. Here, to solve this problem, we create the theory of how the polyhedra are tiled. We first formulate an algorithm to convert a polyhedron into a codeword that instructs how to construct the polyhedron from its building-block polygons. By generalizing the method to polyhedral tilings, we describe the arrangements of polyhedra. Our theory allows us to characterize polyhedral tilings, and thereby paves the way to study from short- to long-range order of disordered structures in a systematic way. PMID:27064833

How to describe disordered structures

NASA Astrophysics Data System (ADS)

Nishio, Kengo; Miyazaki, Takehide

2016-04-01

Disordered structures such as liquids and glasses, grains and foams, galaxies, etc. are often represented as polyhedral tilings. Characterizing the associated polyhedral tiling is a promising strategy to understand the disordered structure. However, since a variety of polyhedra are arranged in complex ways, it is challenging to describe what polyhedra are tiled in what way. Here, to solve this problem, we create the theory of how the polyhedra are tiled. We first formulate an algorithm to convert a polyhedron into a codeword that instructs how to construct the polyhedron from its building-block polygons. By generalizing the method to polyhedral tilings, we describe the arrangements of polyhedra. Our theory allows us to characterize polyhedral tilings, and thereby paves the way to study from short- to long-range order of disordered structures in a systematic way.

Disorder and defects are not intrinsic to boron carbide

NASA Astrophysics Data System (ADS)

Mondal, Swastik; Bykova, Elena; Dey, Somnath; Ali, Sk Imran; Dubrovinskaia, Natalia; Dubrovinsky, Leonid; Parakhonskiy, Gleb; van Smaalen, Sander

2016-01-01

A unique combination of useful properties in boron-carbide, such as extreme hardness, excellent fracture toughness, a low density, a high melting point, thermoelectricity, semi-conducting behavior, catalytic activity and a remarkably good chemical stability, makes it an ideal material for a wide range of technological applications. Explaining these properties in terms of chemical bonding has remained a major challenge in boron chemistry. Here we report the synthesis of fully ordered, stoichiometric boron-carbide B13C2 by high-pressure-high-temperature techniques. Our experimental electron-density study using high-resolution single-crystal synchrotron X-ray diffraction data conclusively demonstrates that disorder and defects are not intrinsic to boron carbide, contrary to what was hitherto supposed. A detailed analysis of the electron density distribution reveals charge transfer between structural units in B13C2 and a new type of electron-deficient bond with formally unpaired electrons on the C-B-C group in B13C2. Unprecedented bonding features contribute to the fundamental chemistry and materials science of boron compounds that is of great interest for understanding structure-property relationships and development of novel functional materials.

Boron uptake in tumors, cerebrum and blood from [10B]NA4B24H22S2

DOEpatents

Slatkin, Daniel N.; Micca, Peggy L.; Fairchild, Ralph G.

1988-08-02

A stable boronated (.sup.10 B-labeled) compound, sodium mercaptoundecahydrododecaborate is infused in the form of the disulfide dimer, [.sup.10 B]Na.sub.4 B.sub.24 H.sub.22 S.sub.2, at a dose of about 200 .mu.g .sup.10 B per gm body weight. The infusion is performed into the blood or peritoneal cavity of the patient slowly over a period of many days, perhaps one week or more, at the rate of roughly 1 .mu.g .sup.10 B per gm body weight per hour. Use of this particular boronated dimer in the manner or similarly to the manner so described permits radiotherapeutically effective amounts of boron to accumulate in tumors to be treated by boron neutron capture radiation therapy and also permits sufficient retention of boron in tumor after the cessation of the slow infusion, so as to allow the blood concentration of .sup.10 B to drop or to be reduced artificially to a radiotherapeutically effective level, less than one-half of the concentration of .sup.10 B in the tumor.

Boron uptake in tumors, cerebrum and blood from [10B]NA4B24H22S2

DOEpatents

Slatkin, Daniel N.; Micca, Peggy L.; Fairchild, Ralph G.

1988-01-01

A stable boronated (.sup.10 B-labeled) compound, sodium mercaptoundecahydrododecaborate is infused in the form of the disulfide dimer, [.sup.10 B]Na.sub.4 B.sub.24 H.sub.22 S.sub.2, at a dose of about 200 .mu.g .sup.10 B per gm body weight. The infusion is performed into the blood or peritoneal cavity of the patient slowly over a period of many days, perhaps one week or more, at the rate of roughly 1 .mu.g .sup.10 B per gm body weight per hour. Use of this particular boronated dimer in the manner or similarly to the manner so described permits radiotherapeutically effective amounts of boron to accumulate in tumors to be treated by boron neutron capture radiation therapy and also permits sufficient retention of boron in tumor after the cessation of the slow infusion, so as to allow the blood concentration of .sup.10 B to drop or to be reduced artificially to a radiotherapeutically effective level, less than one-half of the concentration of .sup.10 B in the tumor.

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.

Research in Energetic Compounds

DTIC Science & Technology

1983-01-01

with hypochlorous acid gave a chlorohydrocarbon, but reaction of the dioxime with chlorine gave 2,6-dichloro-2.6-dinitrosobicyclo[3.3.1)- non&ne. This...Catalyst Concentration on Yield . .3 III. Effect of Monomer Concentration on Yield... 4 IV. Boron Trifluoride and I.q-Butanedzol Catalysis. o V...from 3-azidooxetane with catalysis by boron trifluoride •4 etherate. A problem with this polymerization was that yields were generally in the 50

Reaction cured glass and glass coatings

NASA Technical Reports Server (NTRS)

Goldstein, H. E.; Leiser, D. B.; Katvala, V. W. (Inventor)

1978-01-01

The invention relates to reaction cured glass and glass coatings prepared by reacting a compound selected from the group consisting of silicon tetraboride, silicon hexaboride, other boron silicides, boron and mixtures with a reactive glass frit composed of a porous high silica borosilicate glass and boron oxide. The glassy composites of the present invention are useful as coatings on low density fibrous porous silica insulations used as heat shields and for articles such as reaction vessels that are subjected to high temperatures with rapid heating and cooling and that require resistance to temperature and repeated thermal shock at temperatures up to about 1482C (2700PF).

Boron Neutron Capture Therapy - A Literature Review

PubMed Central

Nedunchezhian, Kavitaa; Thiruppathy, Manigandan; Thirugnanamurthy, Sarumathi

2016-01-01

Boron Neutron Capture Therapy (BNCT) is a radiation science which is emerging as a hopeful tool in treating cancer, by selectively concentrating boron compounds in tumour cells and then subjecting the tumour cells to epithermal neutron beam radiation. BNCT bestows upon the nuclear reaction that occurs when Boron-10, a stable isotope, is irradiated with low-energy thermal neutrons to yield α particles (Helium-4) and recoiling lithium-7 nuclei. A large number of 10 Boron (10B) atoms have to be localized on or within neoplastic cells for BNCT to be effective, and an adequate number of thermal neutrons have to be absorbed by the 10B atoms to maintain a lethal 10B (n, α) lithium-7 reaction. The most exclusive property of BNCT is that it can deposit an immense dose gradient between the tumour cells and normal cells. BNCT integrates the fundamental focusing perception of chemotherapy and the gross anatomical localization proposition of traditional radiotherapy. PMID:28209015

First identification of boronic species as novel potential inhibitors of the Staphylococcus aureus NorA efflux pump.

PubMed

Fontaine, Fanny; Hequet, Arnaud; Voisin-Chiret, Anne-Sophie; Bouillon, Alexandre; Lesnard, Aurélien; Cresteil, Thierry; Jolivalt, Claude; Rault, Sylvain

2014-03-27

Overexpression of efflux pumps is an important mechanism of bacterial resistance that results in the extrusion of antimicrobial agents outside the bacterial cell. Inhibition of such pumps appears to be a promising strategy that could restore the potency of existing antibiotics. The NorA efflux pump of Staphylococcus aureus confers resistance to a wide range of unrelated substrates, such as hydrophilic fluoroquinolones, leading to a multidrug-resistance phenotype. In this work, approximately 150 heterocyclic boronic species were evaluated for their activity against susceptible and resistant strains of S. aureus. Twenty-four hit compounds, although inactive when tested alone, were found to potentiate ciprofloxacin activity by a 4-fold increase at concentrations ranging from 0.5 to 8 μg/mL against S. aureus 1199B, which overexpresses NorA. Boron-free analogues showed no biological activity, thus revealing that the boron atom is crucial for biological activity. This work describes the first reported efflux pump inhibitory activity of boronic acid derivatives.

Synthesis of boron nitride nanostructures from catalyst of iron compounds via thermal chemical vapor deposition technique

NASA Astrophysics Data System (ADS)

da Silva, Wellington M.; Ribeiro, Hélio; Ferreira, Tiago H.; Ladeira, Luiz O.; Sousa, Edésia M. B.

2017-05-01

For the first time, patterned growth of boron nitride nanostructures (BNNs) is achieved by thermal chemical vapor deposition (TCVD) technique at 1150 °C using a mixture of FeS/Fe2O3 catalyst supported in alumina nanostructured, boron amorphous and ammonia (NH3) as reagent gas. This innovative catalyst was synthesized in our laboratory and systematically characterized. The materials were characterized by X-ray diffraction (XRD), Raman spectroscopy, Fourier-transform infrared spectroscopy (FTIR), Thermogravimetric analysis (TGA), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The X-ray diffraction profile of the synthesized catalyst indicates the coexistence of three different crystal structures showing the presence of a cubic structure of iron oxide and iron sulfide besides the gamma alumina (γ) phase. The results show that boron nitride bamboo-like nanotubes (BNNTs) and hexagonal boron nitride (h-BN) nanosheets were successfully synthesized. Furthermore, the important contribution of this work is the manufacture of BNNs from FeS/Fe2O3 mixture.

Inhibition of DD-Peptidases by a Specific Trifluoroketone: Crystal Structure of a Complex with the Actinomadura R39 DD-Peptidase†

PubMed Central

Dzhekieva, Liudmila; Adediran, S. A.; Herman, Raphael; Kerff, Frédéric; Duez, Colette; Charlier, Paulette; Sauvage, Eric; Pratt, R.F.

2013-01-01

Inhibitors of bacterial DD-peptidases represent potential antibiotics. In the search for alternatives to β-lactams, we have investigated a series of compounds designed to generate transition state analogue structures on reaction with DD-peptidases. The compounds contain a combination of a peptidoglycan-mimetic specificity handle and a warhead capable of delivering a tetrahedral anion to the enzyme active site. The latter include a boronic acid, two alcohols, an aldehyde and a trifluoroketone. The compounds were tested against two low molecular mass class C DD-peptidases. As expected from previous observations, the boronic acid was a potent inhibitor, but, rather unexpectedly from precedent, the trifluoroketone [D-α-aminopimelyl-(1,1,1-trifluoro-3-amino)butan-2-one] was also very effective. Taking into account competing hydration, the trifluoroketone was the strongest inhibitor of the Actinomadura R39 DD-peptidase, with a subnanomolar (free ketone) inhibition constant. A crystal structure of the complex between the trifluoroketone and the R39 enzyme showed that a tetrahedral adduct had indeed formed with the active site serine nucleophile. The trifluoroketone moiety, therefore, should be considered along with boronic acids and phosphonates, as a warhead that can be incorporated into new and effective DD-peptidase inhibitors and therefore, perhaps, antibiotics. PMID:23484909

Inhibition of DD-peptidases by a specific trifluoroketone: crystal structure of a complex with the Actinomadura R39 DD-peptidase.

PubMed

Dzhekieva, Liudmila; Adediran, S A; Herman, Raphael; Kerff, Frédéric; Duez, Colette; Charlier, Paulette; Sauvage, Eric; Pratt, R F

2013-03-26

Inhibitors of bacterial DD-peptidases represent potential antibiotics. In the search for alternatives to β-lactams, we have investigated a series of compounds designed to generate transition state analogue structures upon reaction with DD-peptidases. The compounds contain a combination of a peptidoglycan-mimetic specificity handle and a warhead capable of delivering a tetrahedral anion to the enzyme active site. The latter includes a boronic acid, two alcohols, an aldehyde, and a trifluoroketone. The compounds were tested against two low-molecular mass class C DD-peptidases. As expected from previous observations, the boronic acid was a potent inhibitor, but rather unexpectedly from precedent, the trifluoroketone [D-α-aminopimelyl(1,1,1-trifluoro-3-amino)butan-2-one] was also very effective. Taking into account competing hydration, we found the trifluoroketone was the strongest inhibitor of the Actinomadura R39 DD-peptidase, with a subnanomolar (free ketone) inhibition constant. A crystal structure of the complex between the trifluoroketone and the R39 enzyme showed that a tetrahedral adduct had indeed formed with the active site serine nucleophile. The trifluoroketone moiety, therefore, should be considered along with boronic acids and phosphonates as a warhead that can be incorporated into new and effective DD-peptidase inhibitors and therefore, perhaps, antibiotics.

Development of particle induced gamma-ray emission methods for nondestructive determination of isotopic composition of boron and its total concentration in natural and enriched samples.

PubMed

Chhillar, Sumit; Acharya, Raghunath; Sodaye, Suparna; Pujari, Pradeep K

2014-11-18

We report simple particle induced gamma-ray emission (PIGE) methods using a 4 MeV proton beam for simultaneous and nondestructive determination of the isotopic composition of boron ((10)B/(11)B atom ratio) and total boron concentrations in various solid samples with natural isotopic composition and enriched with (10)B. It involves measurement of prompt gamma-rays at 429, 718, and 2125 keV from (10)B(p,αγ)(7)Be, (10)B(p, p'γ)(10)B, and (11)B(p, p'γ)(11)B reactions, respectively. The isotopic composition of boron in natural and enriched samples was determined by comparing peak area ratios corresponding to (10)B and (11)B of samples to natural boric acid standard. An in situ current normalized PIGE method, using F or Al, was standardized for total B concentration determination. The methods were validated by analyzing stoichiometric boron compounds and applied to samples such as boron carbide, boric acid, carborane, and borosilicate glass. Isotopic compositions of boron in the range of 0.247-2.0 corresponding to (10)B in the range of 19.8-67.0 atom % and total B concentrations in the range of 5-78 wt % were determined. It has been demonstrated that PIGE offers a simple and alternate method for total boron as well as isotopic composition determination in boron based solid samples, including neutron absorbers that are important in nuclear technology.

Understanding boron through size-selected clusters: structure, chemical bonding, and fluxionality.

PubMed

Sergeeva, Alina P; Popov, Ivan A; Piazza, Zachary A; Li, Wei-Li; Romanescu, Constantin; Wang, Lai-Sheng; Boldyrev, Alexander I

2014-04-15

Boron is an interesting element with unusual polymorphism. While three-dimensional (3D) structural motifs are prevalent in bulk boron, atomic boron clusters are found to have planar or quasi-planar structures, stabilized by localized two-center-two-electron (2c-2e) σ bonds on the periphery and delocalized multicenter-two-electron (nc-2e) bonds in both σ and π frameworks. Electron delocalization is a result of boron's electron deficiency and leads to fluxional behavior, which has been observed in B13(+) and B19(-). A unique capability of the in-plane rotation of the inner atoms against the periphery of the cluster in a chosen direction by employing circularly polarized infrared radiation has been suggested. Such fluxional behaviors in boron clusters are interesting and have been proposed as molecular Wankel motors. The concepts of aromaticity and antiaromaticity have been extended beyond organic chemistry to planar boron clusters. The validity of these concepts in understanding the electronic structures of boron clusters is evident in the striking similarities of the π-systems of planar boron clusters to those of polycyclic aromatic hydrocarbons, such as benzene, naphthalene, coronene, anthracene, or phenanthrene. Chemical bonding models developed for boron clusters not only allowed the rationalization of the stability of boron clusters but also lead to the design of novel metal-centered boron wheels with a record-setting planar coordination number of 10. The unprecedented highly coordinated borometallic molecular wheels provide insights into the interactions between transition metals and boron and expand the frontier of boron chemistry. Another interesting feature discovered through cluster studies is boron transmutation. Even though it is well-known that B(-), formed by adding one electron to boron, is isoelectronic to carbon, cluster studies have considerably expanded the possibilities of new structures and new materials using the B(-)/C analogy. It is believed that the electronic transmutation concept will be effective and valuable in aiding the design of new boride materials with predictable properties. The study of boron clusters with intermediate properties between those of individual atoms and bulk solids has given rise to a unique opportunity to broaden the frontier of boron chemistry. Understanding boron clusters has spurred experimentalists and theoreticians to find new boron-based nanomaterials, such as boron fullerenes, nanotubes, two-dimensional boron, and new compounds containing boron clusters as building blocks. Here, a brief and timely overview is presented addressing the recent progress made on boron clusters and the approaches used in the authors' laboratories to determine the structure, stability, and chemical bonding of size-selected boron clusters by joint photoelectron spectroscopy and theoretical studies. Specifically, key findings on all-boron hydrocarbon analogues, metal-centered boron wheels, and electronic transmutation in boron clusters are summarized.

Boron-Based Hydrogen Storage: Ternary Borides and Beyond

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

Vajo, John J.

DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slowmore » rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.« less

Solid state, thermal synthesis of site-specific protein-boron cluster conjugates and their physicochemical and biochemical properties.

PubMed

Goszczyński, Tomasz M; Kowalski, Konrad; Leśnikowski, Zbigniew J; Boratyński, Janusz

2015-02-01

Boron clusters represent a vast family of boron-rich compounds with extraordinary properties that provide the opportunity of exploitation in different areas of chemistry and biology. In addition, boron clusters are clinically used in boron neutron capture therapy (BNCT) of tumors. In this paper, a novel, in solid state (solvent free), thermal method for protein modification with boron clusters has been proposed. The method is based on a cyclic ether ring opening in oxonium adduct of cyclic ether and a boron cluster with nucleophilic centers of the protein. Lysozyme was used as the model protein, and the physicochemical and biological properties of the obtained conjugates were characterized. The main residues of modification were identified as arginine-128 and threonine-51. No significant changes in the secondary or tertiary structures of the protein after tethering of the boron cluster were found using mass spectrometry and circular dichroism measurements. However, some changes in the intermolecular interactions and hydrodynamic and catalytic properties were observed. To the best of our knowledge, we have described the first example of an application of cyclic ether ring opening in the oxonium adducts of a boron cluster for protein modification. In addition, a distinctive feature of the proposed approach is performing the reaction in solid state and at elevated temperature. The proposed methodology provides a new route to protein modification with boron clusters and extends the range of innovative molecules available for biological and medical testing. Copyright © 2014 Elsevier B.V. All rights reserved.

Flexible Polyhedral Surfaces.

ERIC Educational Resources Information Center

Alexandrov, V. A.

1998-01-01

Discusses some questions connected with Cauchy's theorem which states that two convex closed polyhedral surfaces whose corresponding faces are congruent and whose faces adjoin each other in the same way are congruent. Describes how to construct a flexible polyhedron. (ASK)

Copper catalyzed oxidative coupling reactions for trifluoromethylselenolations--synthesis of R-SeCF3 compounds using air stable tetramethylammonium trifluoromethylselenate.

PubMed

Lefebvre, Quentin; Pluta, Roman; Rueping, Magnus

2015-03-14

The aerobic, room-temperature coupling of tetramethylammonium trifluoromethylselenate with readily available boronic acids, boronic esters, and terminal alkynes has been developed. The method permits direct access to valuable trifluoromethylselenoarenes and alkynes under mild conditions. A convenient one-pot reaction, a scale up procedure as well as an extension to perfluoroalkylselenates are also presented to further demonstrate the synthetic utility of this reaction.

Understanding Boron through Size-Selected Clusters: Structure, Chemical Bonding, and Fluxionality

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

Sergeeva, Alina P.; Popov, Ivan A.; Piazza, Zachary A.

Conspectus Boron is an interesting element with unusual polymorphism. While three-dimensional (3D) structural motifs are prevalent in bulk boron, atomic boron clusters are found to have planar or quasi-planar structures, stabilized by localized two-center–two-electron (2c–2e) σ bonds on the periphery and delocalized multicenter–two-electron (nc–2e) bonds in both σ and π frameworks. Electron delocalization is a result of boron’s electron deficiency and leads to fluxional behavior, which has been observed in B13+ and B19–. A unique capability of the in-plane rotation of the inner atoms against the periphery of the cluster in a chosen direction by employing circularly polarized infrared radiationmore » has been suggested. Such fluxional behaviors in boron clusters are interesting and have been proposed as molecular Wankel motors. The concepts of aromaticity and antiaromaticity have been extended beyond organic chemistry to planar boron clusters. The validity of these concepts in understanding the electronic structures of boron clusters is evident in the striking similarities of the π-systems of planar boron clusters to those of polycyclic aromatic hydrocarbons, such as benzene, naphthalene, coronene, anthracene, or phenanthrene. Chemical bonding models developed for boron clusters not only allowed the rationalization of the stability of boron clusters but also lead to the design of novel metal-centered boron wheels with a record-setting planar coordination number of 10. The unprecedented highly coordinated borometallic molecular wheels provide insights into the interactions between transition metals and boron and expand the frontier of boron chemistry. Another interesting feature discovered through cluster studies is boron transmutation. Even though it is well-known that B–, formed by adding one electron to boron, is isoelectronic to carbon, cluster studies have considerably expanded the possibilities of new structures and new materials using the B–/C analogy. It is believed that the electronic transmutation concept will be effective and valuable in aiding the design of new boride materials with predictable properties. The study of boron clusters with intermediate properties between those of individual atoms and bulk solids has given rise to a unique opportunity to broaden the frontier of boron chemistry. Understanding boron clusters has spurred experimentalists and theoreticians to find new boron-based nanomaterials, such as boron fullerenes, nanotubes, two-dimensional boron, and new compounds containing boron clusters as building blocks. Here, a brief and timely overview is presented addressing the recent progress made on boron clusters and the approaches used in the authors’ laboratories to determine the structure, stability, and chemical bonding of size-selected boron clusters by joint photoelectron spectroscopy and theoretical studies. Specifically, key findings on all-boron hydrocarbon analogues, metal-centered boron wheels, and electronic transmutation in boron clusters are summarized.« less

Tumor-specific delivery of BSH-3R for boron neutron capture therapy and positron emission tomography imaging in a mouse brain tumor model.

PubMed

Iguchi, Yoshiya; Michiue, Hiroyuki; Kitamatsu, Mizuki; Hayashi, Yuri; Takenaka, Fumiaki; Nishiki, Tei-Ichi; Matsui, Hideki

2015-07-01

Glioblastoma, a malignant brain tumor with poor disease outcomes, is managed in modern medicine by multimodality therapy. Boron neutron capture therapy (BNCT) is an encouraging treatment under clinical investigation. In malignant cells, BNCT consists of two major factors: neutron radiation and boron uptake. To increase boron uptake in cells, we created a mercapto-closo-undecahydrododecaborate ([B12HnSH](2-)2Na(+), BSH) fused with a short arginine peptide (1R, 2R, 3R) and checked cellular uptake in vitro and in vivo. In a mouse brain tumor model, only BSH with at least three arginine domains could penetrate cell membranes of glioma cells in vitro and in vivo. Furthermore, to monitor the pharmacokinetic properties of these agents in vivo, we fused BSH and BSH-3R with 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA); DOTA is a metal chelating agent for labeling positron emission tomography (PET) probe with (64)Cu. We administered BSH-DOTA-(64)Cu and BSH-3R-DOTA-(64)Cu to the tumor model through a mouse tail vein and determined the drugs' pharmacokinetics by PET imaging. BSH-3R showed a high uptake in the tumor area on PET imaging. We concluded that BSH-3R is the ideal boron compound for clinical use during BNCT and that in developing this compound for clinical use, the BSH-3R PET probe is essential for pharmacokinetic imaging. Copyright © 2015 Elsevier Ltd. All rights reserved.

Uptake and metabolism of boronophenylalanine in human uveal melanoma cells in culture Relevance to boron neutron capture therapy of cancer cells.

PubMed

Belkhou, R; Abbé, J C; Pham, P; Jasner, N; Sahel, J; Dreyfus, H; Moutaouakkil, M; Massarelli, R

1995-06-01

The transport of boronophenylalanine (BPA) and its metabolic fate have been studied in a human uveal melanoma cell line isolated from a primary enucleated tumor. The boronated compound was rapidly incorporated into the cells reaching a peak of incorporation in two hours. This was followed by a trough between 10 and 24 hours and by an increase thereafter. The analogy with the amino acids phenylalanine (Phe) and tyrosine (Tyr) was studied in competition experiments incubating cultures of cell line MK-T, isolated in this laboratory, with [(3)H]-Phe and [(125)I]-Tyr, in the presence or absence of various concentrations of BPA, between 0 and 5 min. The presence of BPA severely reduced the uptake of both amino acids. The kinetics of the transport of [(3)H]-Phe and [(3)H]-Tyr in the presence of BPA, measured after 10 sec of incubation, showed that the boronated compound exerted a competitive inhibition on both transport systems. The intracellular metabolism of BPA was followed by measuring boron concentration (measured with Ionization Coupled Mass Spectrometry) in subcellular fractions and after membrane extraction by the detergent Triton X-100. The results showed that BPA remained in the supernatant and was not metabolized into macromolecules. These results and the relative absence of melanine in these cells, as observed by electron microscopy, suggest that BPA may be actively transported into melanoma cells but not metabolized. The results may have a relevance in studies on Boron Neutron Capture Therapy.

Boron uptake in tumors, cerebrum and blood from (/sup 10/B)Na/sub 4/B/sub 24/H/sub 22/S/sub 2/

DOEpatents

Slatkin, D.N.; Micca, P.L.; Fairchild, R.G.

1986-03-11

A stable boronated (/sup 10/B-labeled) compound, sodium mercaptoundecahydrododecaborate is infused in the form of the disulfide dimer, (/sup 10/B)Na/sub 4/B/sub 24/H/sub 22/S/sub 2/, at a dose of about 200 ..mu..g /sup 10/B per gm body weight. The infusion is preformed into the blood or peritoneal cavity of the patient slowly over a period of many days, perhaps one week or more, at the rate of roughly 1 ..mu..g /sup 10/B per gm body weight per hour. Use of this particular boronated dimer in the manner or similarly to the manner so described permits radiotherapeutically effective amounts of boron to accumulate in tumors to be treated by boron neutron capture radiation therapy and also permits sufficient retention of boron in tumor after the cessation of the slow infusion, so as to allow the blood concentration of /sup 10/B to drop or to be reduced artificially to a radiotherapeutically effective level, less than one-half of the concentration of /sup 10/B in the tumor. 1 tab.

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.

Effects of Different Boron Compounds on the Corrosion Resistance of Andalusite-Based Low-Cement Castables in Contact with Molten Al Alloy

NASA Astrophysics Data System (ADS)

Adabifiroozjaei, Esmaeil; Koshy, Pramod; Sorrell, Charles Chris

2012-02-01

Interfacial reactions between Al alloy and andalusite low-cement castables (LCCs) containing 5 wt pct B2O3, B4C, and BN were analyzed at 1123 K and 1433 K (850 °C and 1160 °C) using the Alcoa cup test. The results showed that the addition of boron-containing materials led to the formation of aluminoborate (9Al2O3.2B2O3) and glassy phase containing boron in the prefiring temperature (1373 K [1100 °C]), which consequently improved the corrosion resistance of the refractories. The high heat of formation of the aluminoborate phase (which increased its stability to reactions with molten Al alloy) and the low solubility of boron in molten Al were the major factors that contributed to the improvement in the corrosion resistance of B-doped samples.

Probing the General Time Scale Question of Boronic Acid Binding with Sugars in Aqueous Solution at Physiological pH

PubMed Central

Ni, Nanting; Laughlin, Sarah; Wang, Yingji; Feng, You; Zheng, Yujun

2012-01-01

The boronic acid group is widely used in chemosensor design due to its ability to reversibly bind diol-containing compounds. The thermodynamic properties of the boronic acid-diol binding process have been investigated extensively. However, there are few studies of the kinetic properties of such binding processes. In this report, stopped-flow method was used for the first time to study the kinetic properties of the binding between three model arylboronic acids, 4-, 5-, and 8-isoquinolinylboronic acids, and various sugars. With all the boronic acid-diol pair sexamined, reactions were complete within seconds. The kon values with various sugars follow the order of D-fructose >D-tagatose>D-mannose >D-glucose. This trend tracks the thermodynamic binding affinities for these sugars and demonstrates that the “on” rate is the key factor determining the binding constant. PMID:22464680

Fluoride, boron and nitrate toxicity in ground water of northwest Rajasthan, India.

PubMed

Chaudhary, Veena; Kumar, Mukesh; Sharma, Mukesh; Yadav, B S

2010-02-01

The study was carried out to access the fluoride, boron, and nitrate concentrations in ground water samples of different villages in Indira Gandhi, Bhakra, and Gang canal catchment area of northwest Rajasthan, India. Rural population, in the study site, is using groundwater for drinking and irrigation purposes, without any quality test of water. All water samples (including canal water) were contaminated with fluoride. Fluoride, boron, and nitrate were observed in the ranges of 0.50-8.50, 0.0-7.73, and 0.0-278.68 mg/l, respectively. Most of the water samples were in the categories of fluoride 1.50 mg/l, of boron 2.0-4.0 mg/l, and of nitrate < 45 mg/l. There was no industrial pollution in the study site; hence, availability of these compounds in groundwater was due to natural reasons and by the use of chemical fertilizers.

Hyaluronic acid as a potential boron carrier for BNCT: Preliminary evaluation.

PubMed

Zaboronok, A; Yamamoto, T; Nakai, K; Yoshida, F; Uspenskii, S; Selyanin, M; Zelenetskii, A; Matsumura, Akira

2015-12-01

Hyaluronic acid (HA), a nonimmunogenic, biocompatible polymer found in different biological tissues, has the potential to attach to CD44 receptors on the surface of certain cancer cells, where the receptor is overexpressed compared with normal cells. Boron-hyaluronic acid (BHA) was tested for its feasibility as a potential agent for BNCT. BHA with low-viscosity 30 kDa HA could be administered by intravenous injection. The compound showed a certain degree of cytotoxicity and accumulation in C6 rat glioma cells in vitro. Instability of the chelate bonds between boron and HA and/or insufficient specificity of CD44 receptors on C6 cells to BHA could account for the insufficient in vitro accumulation. To ensure the future eligibility of BHA for BNCT experiments, using alternative tumor cell lines and chemically securing the chelate bonds or synthesizing BHA with boron covalently attached to HA might be required. Copyright © 2015 Elsevier Ltd. All rights reserved.

Synthesis and Evaluation of the Anticancer and Trypanocidal Activities of Boronic Tyrphostins.

PubMed

de J Hiller, Noemi; A A E Silva, Nayane; Faria, Robson X; Souza, André Luís A; Resende, Jackson A L C; Borges Farias, André; Correia Romeiro, Nelilma; de Luna Martins, Daniela

2018-06-01

Molecules containing an (cyanovinyl)arene moiety are known as tyrphostins because of their ability to inhibit proteins from the tyrosine kinase family, an interesting target for the development of anticancer and trypanocidal drugs. In the present work, (E)-(cyanovinyl)benzeneboronic acids were synthesized by Knoevenagel condensations without the use of any catalysts in water through a simple protocol that completely avoided the use of organic solvents in the synthesis and workup process. The in vitro anticancer and trypanocidal activities of the synthesized boronic acids were also evaluated, and it was discovered that the introduction of the boronic acid functionality improved the activity of the boronic tyrphostins. In silico target fishing with the use of a chemogenomic approach suggested that tyrosine-phosphorylation-regulated kinase 1a (DYRK1A) was a potential target for some of the designed compounds. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Boron-Based Catalysts for C-C Bond-Formation Reactions.

PubMed

Rao, Bin; Kinjo, Rei

2018-05-02

Because the construction of the C-C bond is one of the most significant reactions in organic chemistry, the development of an efficient strategy has attracted much attention throughout the synthetic community. Among various protocols to form C-C bonds, organoboron compounds are not just limited to stoichiometric reagents, but have also made great achievements as catalysts because of the easy modification of the electronic and steric impacts on the boron center. This review presents recent developments of boron-based catalysts applied in the field of C-C bond-formation reactions, which are classified into four kinds on the basis of the type of boron catalyst: 1) highly Lewis acidic borane, B(C 6 F 5 ) 3 ; 2) organoboron acids, RB(OH) 2 , and their ester derivatives; 3) borenium ions, (R 2 BL)X; and 4) other miscellaneous kinds. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Program and Abstracts, Boron Americas IX Final Report

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

Feakes, Debra A.

The Scientific and Technical Information (STI) submitted includes the final report and a collection of abstracts for the Ninth Boron in the Americas Conference which was held May 19-22, 2004, in San Marcos, Texas. The topics covered in the abstracts include: Application in Medicine, Application in Organic Synthesis and Catalysis, Boranes and Carboranes, Materials and Polymers, Metallaboranes and Metallacarboranes, Organoboron Compounds, Synthesis and Catalysis, and Theoretical Studies. Attendees represented researchers from government, industry, and academia.

Controlling the charge transfer in phenylene-bridged borylene-amine pi-conjugated systems.

PubMed

Proń, Agnieszka; Zhou, Gang; Norouzi-Arasi, Hassan; Baumgarten, Martin; Müllen, Klaus

2009-08-20

Novel boron-nitrogen-containing pi-conjugated compounds 3,3'- and 4,4'-((2,4,6-triisopropylphenyl)borylene)bis(N,N-diarylbenzenamine) (1-2), m- and p-phenylene bridged to the boron center, respectively, have been synthesized and characterized. Optical studies by means of UV-vis absorption and emission measurements as well as DFT calculations reveal a different charge transfer behavior between the para series and the meta series at ground and excited states.

A Hypoxia-Targeted Boron Neutron Capture Therapy Agent for the Treatment of Glioma

PubMed Central

Luderer, Micah John; Muz, Barbara; de la Puente, Pilar; Chavalmane, Sanmathi; Kapoor, Vaishali; Marcelo, Raymundo; Biswas, Pratim; Thotala, Dinesh; Rogers, Buck; Azab, Abdel Kareem

2016-01-01

Purpose Boron neutron capture therapy (BNCT) has the potential to become a viable cancer treatment modality, but its clinical translation has been limited by the poor tumor selectivity of agents. To address this unmet need, a boronated 2-nitroimidazole derivative (B-381) was synthesized and evaluated for its capability of targeting hypoxic glioma cells. Methods B-381 has been synthesized from a 1-step reaction. Using D54 and U87 glioma cell lines, the in vitro cytotoxicity and cellular accumulation of B-381 has been evaluated under normoxic and hypoxic conditions compared to L-boronophenylalanine (BPA). Furthermore, tumor retention of B-381 was evaluated in vivo. Results B-381 had low cytotoxicity in normal and cancer cells. Unlike BPA, B-381 illustrated preferential retention in hypoxic glioma cells compared to normoxic glioma cells and normal tissues in vitro. In vivo, B-381 illustrated significantly higher long-term tumor retention compared to BPA, with 9.5-fold and 6.5-fold higher boron levels at 24 and 48 h, respectively. Conclusions B-381 represents a new class of BNCT agents in which their selectivity to tumors is based on tumor hypoxic metabolism, and further studies are warranted to evaluate this compound and similar compounds as preclinical candidates for future BNCT clinical trials for the treatment of glioma. PMID:27401411

Biodistribution of sodium borocaptate (BSH) for boron neutron capture therapy (BNCT) in an oral cancer model.

PubMed

Garabalino, Marcela A; Heber, Elisa M; Monti Hughes, Andrea; González, Sara J; Molinari, Ana J; Pozzi, Emiliano C C; Nievas, Susana; Itoiz, Maria E; Aromando, Romina F; Nigg, David W; Bauer, William; Trivillin, Verónica A; Schwint, Amanda E

2013-08-01

Boron neutron capture therapy (BNCT) is based on selective accumulation of ¹⁰B carriers in tumor followed by neutron irradiation. We previously proved the therapeutic success of BNCT mediated by the boron compounds boronophenylalanine and sodium decahydrodecaborate (GB-10) in the hamster cheek pouch oral cancer model. Based on the clinical relevance of the boron carrier sodium borocaptate (BSH) and the knowledge that the most effective way to optimize BNCT is to improve tumor boron targeting, the specific aim of this study was to perform biodistribution studies of BSH in the hamster cheek pouch oral cancer model and evaluate the feasibility of BNCT mediated by BSH at nuclear reactor RA-3. The general aim of these studies is to contribute to the knowledge of BNCT radiobiology and optimize BNCT for head and neck cancer. Sodium borocaptate (50 mg ¹⁰B/kg) was administered to tumor-bearing hamsters. Groups of 3-5 animals were killed humanely at nine time-points, 3-12 h post-administration. Samples of blood, tumor, precancerous pouch tissue, normal pouch tissue and other clinically relevant normal tissues were processed for boron measurement by optic emission spectroscopy. Tumor boron concentration peaked to therapeutically useful boron concentration values of 24-35 ppm. The boron concentration ratio tumor/normal pouch tissue ranged from 1.1 to 1.8. Pharmacokinetic curves showed that the optimum interval between BSH administration and neutron irradiation was 7-11 h. It is concluded that BNCT mediated by BSH at nuclear reactor RA-3 would be feasible.

Acute and chronic toxicity of boron to a variety of freshwater organisms.

PubMed

Soucek, David J; Dickinson, Amy; Koch, Brian T

2011-08-01

Boron enters the aquatic environment from various sources, including weathering of borates, sewage effluents, coal combustion, use of cleaning compounds, and agrochemicals. The present study was designed to generate data on acute and chronic boron toxicity in support of an update of water quality standards in Illinois, USA. We examined the acute toxicity of boron to eight different freshwater organisms including a fish, an insect, two crustaceans, and four bivalve mollusks. To our knowledge, this is the first study to present data on the toxicity of boron to freshwater mollusks. We also sought to clarify whether hardness or pH affect boron toxicity to aquatic life, and to quantify chronic effect levels in two freshwater species. Sensitivity among the various species ranged widely, with the fathead minnow (Pimephales promelas) being the most sensitive. Neither pH nor hardness had a consistent effect on acute boron toxicity to two crustaceans (Ceriodaphnia dubia and Hyalella azteca), but we observed evidence that chloride reduces boron toxicity to H. azteca. The fathead minnow, while more acutely sensitive than the other species, had a lower acute to chronic ratio than did H. azteca, which had reduced reproduction at 13 mg/L. While we do not know the extent to which the eight tested species represent the range of sensitivities of native but untested species in Illinois, the current water quality standard for Illinois (1 mg/L) is conservative with regard to the native species tested thus far. Copyright © 2011 SETAC.

Linking 1D Transition-Metal Coordination Polymers and Different Inorganic Boron Oxides To Construct a Series of 3D Inorganic-Organic Hybrid Borates.

PubMed

Zhi, Shao-Chen; Wang, Yue-Lin; Sun, Li; Cheng, Jian-Wen; Yang, Guo-Yu

2018-02-05

Three inorganic-organic hybrid borates, M(1,4-dab)[B 5 O 7 (OH) 3 ] [M = Zn (1), Cd (2), 1,4-dab = 1,4-diaminobutane)] and Co(1,3-dap)[B 4 O 7 ] (3, 1,3-dap = 1,3-diaminopropane), which integrated characteristics of 1D coordination polymers and 1D/3D inorganic boron oxides have been obtained under solvothermal conditions. Compounds 1 and 2 are isostructural and crystallize in a centrosymmetric space group P2 1 /c; the 3D achiral structures of 1 and 2 consist of the nonhelical Zn/Cd-1,4-dap coordination polymers and 1D B-O chains. Compound 3 crystallizes in a chiral space group P4 3 2 1 2; the helical Co-1,3-dap coordination polymer chains are entrained within a 3D B-O network and finally form the chiral framework. Compounds 1-3 represent good examples of using coordination polymers to construct mixed-motif inorganic-organic hybrid borates. Compounds 1 and 2 display blue luminescence when excited with UV light.

Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens

PubMed Central

Bakri, Ridla; Parikesit, Arli Aditya; Satriyanto, Cipta Prio; Kerami, Djati; Tambunan, Usman Sumo Friend

2014-01-01

Histone deacetylase (HDAC) has a critical function in regulating gene expression. The inhibition of HDAC has developed as an interesting anticancer research area that targets biological processes such as cell cycle, apoptosis, and cell differentiation. In this study, an HDAC inhibitor that is available commercially, suberoyl anilide hydroxamic acid (SAHA), has been modified to improve its efficacy and reduce the side effects of the compound. Hydrophobic cap and zinc-binding group of these compounds were substituted with boron-based compounds, whereas the linker region was substituted with p-aminobenzoic acid. The molecular docking analysis resulted in 8 ligands with ΔG binding value more negative than the standards, SAHA and trichostatin A (TSA). That ligands were analyzed based on the nature of QSAR, pharmacological properties, and ADME-Tox. It is conducted to obtain a potent inhibitor of HDAC class II Homo sapiens. The screening process result gave one best ligand, Nova2 (513246-99-6), which was then further studied by molecular dynamics simulations. PMID:25214833

Boron Neutron Capture Therapy for Malignant Brain Tumors

PubMed Central

MIYATAKE, Shin-Ichi; KAWABATA, Shinji; HIRAMATSU, Ryo; KUROIWA, Toshihiko; SUZUKI, Minoru; KONDO, Natsuko; ONO, Koji

2016-01-01

Boron neutron capture therapy (BNCT) is a biochemically targeted radiotherapy based on the nuclear capture and fission reactions that occur when non-radioactive boron-10, which is a constituent of natural elemental boron, is irradiated with low energy thermal neutrons to yield high linear energy transfer alpha particles and recoiling lithium-7 nuclei. Therefore, BNCT enables the application of a high dose of particle radiation selectively to tumor cells in which boron-10 compound has been accumulated. We applied BNCT using nuclear reactors for 167 cases of malignant brain tumors, including recurrent malignant gliomas, newly diagnosed malignant gliomas, and recurrent high-grade meningiomas from January 2002 to May 2014. Here, we review the principle and history of BNCT. In addition, we introduce fluoride-18-labeled boronophenylalanine positron emission tomography and the clinical results of BNCT for the above-mentioned malignant brain tumors. Finally, we discuss the recent development of accelerators producing epithermal neutron beams. This development could provide an alternative to the current use of specially modified nuclear reactors as a neutron source, and could allow BNCT to be performed in a hospital setting. PMID:27250576

Boron Neutron Capture Therapy for Malignant Brain Tumors.

PubMed

Miyatake, Shin-Ichi; Kawabata, Shinji; Hiramatsu, Ryo; Kuroiwa, Toshihiko; Suzuki, Minoru; Kondo, Natsuko; Ono, Koji

2016-07-15

Boron neutron capture therapy (BNCT) is a biochemically targeted radiotherapy based on the nuclear capture and fission reactions that occur when non-radioactive boron-10, which is a constituent of natural elemental boron, is irradiated with low energy thermal neutrons to yield high linear energy transfer alpha particles and recoiling lithium-7 nuclei. Therefore, BNCT enables the application of a high dose of particle radiation selectively to tumor cells in which boron-10 compound has been accumulated. We applied BNCT using nuclear reactors for 167 cases of malignant brain tumors, including recurrent malignant gliomas, newly diagnosed malignant gliomas, and recurrent high-grade meningiomas from January 2002 to May 2014. Here, we review the principle and history of BNCT. In addition, we introduce fluoride-18-labeled boronophenylalanine positron emission tomography and the clinical results of BNCT for the above-mentioned malignant brain tumors. Finally, we discuss the recent development of accelerators producing epithermal neutron beams. This development could provide an alternative to the current use of specially modified nuclear reactors as a neutron source, and could allow BNCT to be performed in a hospital setting.

Simulation of a Single-Element Lean-Direct Injection Combustor Using Arbitrary Polyhedral Mesh

NASA Technical Reports Server (NTRS)

Wey, Thomas; Liu, Nan-Suey

2012-01-01

This paper summarizes procedures of generating the arbitrary polyhedral mesh as well as presents sample results from its application to the numerical solution of a single-element LDI combustor using a preliminary version of the new OpenNCC.

High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO 4 and TmPO 4

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

Gomis, O.; Lavina, B.; Rodríguez-Hernández, P.

2017-01-20

Zircon-type holmium phosphate (HoPO 4) and thulium phosphate (TmPO 4) have been studied by single-crystal x-ray diffraction and ab initio calculations. We report on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculations indicatemore » that the possible causes that make the zircon structure unstable are mechanical instabilities and the softening of a silent B 1u mode.« less

Synthesis of SnS2/SnS fullerene-like nanoparticles: a superlattice with polyhedral shape.

PubMed

Hong, Sung You; Popovitz-Biro, Ronit; Prior, Yehiam; Tenne, Reshef

2003-08-27

Tin disulfide pellets were laser ablated in an inert gas atmosphere, and closed cage fullerene-like (IF) nanoparticles were produced. The nanoparticles had various polyhedra and short tubular structures. Some of these forms contained a periodic pattern of fringes resulting in a superstructure. These patterns could be assigned to a superlattice created by periodic stacking of layered SnS(2) and SnS. Such superlattices are reminiscent of misfit layer compounds, which are known to form tubular morphologies. This mechanism adds up to the established mechanism for IF formation, namely, the annihilation of reactive dangling bonds at the periphery of the nanoparticles. Additionally, it suggests that one of the driving forces to form tubules in misfit compounds is the annihilation of dangling bonds at the rim of the layered structure.

A review of Explosives Used in Explosive Excavation Research Laboratory Projects Since 1969

DTIC Science & Technology

1974-12-01

Boron compounds Potassium dichramat« Antimony compounds Bismuth compounds P«riodat«s Litharge Guar gum (polysaccSarid«) Storch Acrylomid... gum , and gelled with a cross- linking agent. The i-arliest slurries used Government surplus TNT as a fuel-sensitizer, but the majority o...Nonexplosive TNT PETN RDX Rentalite Composition B Guanidine nitrate Smokeless powder Nitres*: ch Alky’amine nitrates Nit.omannite Aluminum Sugar

Novel stable hard transparent conductors in TiO2-TiC system: Design materials from scratch

PubMed Central

Meng, Xiangying; Liu, Dongyan; Dai, Xuefeng; Pan, Haijun; Wen, Xiaohong; Zuo, Liang; Qin, Gaowu

2014-01-01

Two new ternary compounds in the TiO2-TiC system, Ti5C2O6 and Ti3C2O2, are reported for the first time based on ab initio evolutionary algorithm. Ti5C2O6 has a tube-structure in which sp1 hybridized carbon chains run through the lattice along the b-axis; while in the Ti3C2O2 lattice, double TiO6 polyhedral are separated by the non-coplanar sp2 hybridized hexagon graphite layers along the c-axis, forming a sandwich-like structure. At ambient conditions, the two compounds are found to be mechanically and dynamically stable and intrinsic transparent conductors with high hardness (about twice harder than the conventional transparent conducting oxides). These mechanical, electronic, and optical properties make Ti5C2O6 and Ti3C2O2 ternary compounds be promising robust, hard, transparent, and conductive materials. PMID:25511583

Space-filling polyhedral sorbents

DOEpatents

Haaland, Peter

2016-06-21

Solid sorbents, systems, and methods for pumping, storage, and purification of gases are disclosed. They derive from the dynamics of porous and free convection for specific gas/sorbent combinations and use space filling polyhedral microliths with facial aplanarities to produce sorbent arrays with interpenetrating interstitial manifolds of voids.

Boronic acid-containing CXCR1/2 antagonists: optimization of metabolic stability, in vivo evaluation, and a proposed receptor binding model

PubMed Central

Maeda, Dean Y.; Peck, Angela M.; Schuler, Aaron D.; Quinn, Mark T.; Kirpotina, Liliya N.; Wicomb, Winston N.; Auten, Richard L.; Gundla, Rambabu; Zebala, John A.

2015-01-01

Blockade of undesired neutrophil migration to sites of inflammation remains an area of substantial pharmaceutical interest. To effect this blockade, a validated therapeutic target is antagonism of the chemokine receptor CXCR2. Herein we report the discovery of 6-(2-boronic acid-5-trifluoromethoxy-benzylsulfanyl)-N-(4-fluoro-phenyl)-nicotinamide 6, an antagonist with activity at both CXCR1 and CXCR2 receptors (IC50 values 31 and 21 nM, respectively). Compound 6 exhibited potent inhibition of neutrophil influx in a rat model of pulmonary inflammation, and is hypothesized to interact with a unique intracellular binding site on CXCR2. Compound 6 (SX-576) is undergoing further investigation as a potential therapy for pulmonary inflammation. PMID:25933594

Development of a polymeric ionic liquid coating for direct-immersion solid-phase microextraction using polyhedral oligomeric silsesquioxane as cross-linker.

PubMed

Chen, Chunyan; Liang, Xiaotong; Wang, Jianping; Zou, Ying; Hu, Huiping; Cai, Qingyun; Yao, Shouzhuo

2014-06-27

A novel solid-phase microextraction (SPME) fiber was developed by chemical binding of a crosslinked polymeric ionic liquid (PIL) on the surface of an anodized Ti wire, and was applied in direct-immersion mode for the extraction of perfluorinated compounds (PFCs) from water samples coupled with high performance liquid chromatography-tandem mass spectrometry analysis. The PIL coatings were synthesized by using 1-vinyl-3-hexylimidazolium hexafluorophosphate as monomer and methylacryloyl-substituted polyhedral oligomeric silsesquioxane (POSS) as cross-linker via free radical reaction. The proposed fiber coating exhibited high mechanical stability due to the chemical bonding between the coating and the Ti wire surface. The integration of POSS reagent enhanced the organic solvent resistance of the coating. The parameters affecting the extraction performance of the fiber coating including extraction time, pH of solution, ionic strength and desorption conditions were optimized. The developed PIL-POSS fiber showed good linearity (R<0.998) between 0.1 and 50ngmL(-1) with method detection limits ranging from 0.005 to 0.08ngmL(-1) depending on the analyte, and with relative standard deviation for single-fiber repeatability and fiber-to-fiber reproducibility less than 8.6% and 9.5%, respectively. Copyright © 2014 Elsevier B.V. All rights reserved.

Detection of percolating paths in polyhedral segregated network composites using electrostatic force microscopy and conductive atomic force microscopy

NASA Astrophysics Data System (ADS)

Waddell, J.; Ou, R.; Capozzi, C. J.; Gupta, S.; Parker, C. A.; Gerhardt, R. A.; Seal, K.; Kalinin, S. V.; Baddorf, A. P.

2009-12-01

Composite specimens possessing polyhedral segregated network microstructures require a very small amount of nanosize filler, <1 vol %, to reach percolation because percolation occurs by accumulation of the fillers along the edges of the deformed polymer matrix particles. In this paper, electrostatic force microscopy (EFM) and conductive atomic force microscopy (C-AFM) were used to confirm the location of the nanosize fillers and the corresponding percolating paths in polymethyl methacrylate/carbon black composites. The EFM and C-AFM images revealed that the polyhedral polymer particles were coated with filler, primarily on the edges as predicted by the geometric models provided.

Analysis of the Surface of Deposited Copper After Electroerosion Treatment

NASA Astrophysics Data System (ADS)

Ablyaz, T. R.; Simonov, M. Yu.; Shlykov, E. S.

2018-03-01

An electron microscope analysis of the surface of deposited copper is performed after a profiling-piercing electroerosion treatment. The deposited copper is treated with steel, duralumin, and copper electrode tools at different pulse energies. The treatment with the duralumin electrode produces on the treated surface a web-like structure and cubic-morphology polyhedral dimples about 10 μm in size. The main components of the surface treated with the steel electrode are developed polyhedral dimples with a size of 10 - 50 μm. After the treatment with the copper electrode the main components of the treated surface are large polyhedral dimples about 30 - 80 μm in size.

Morphology-selective synthesis of polyhedral gold nanoparticles: what factors control the size and morphology of gold nanoparticles in a wet-chemical process.

PubMed

Lee, Jong-Hee; Kamada, Kai; Enomoto, Naoya; Hojo, Junichi

2007-12-15

Polyhedral gold nanoparticles below 100 nm in size were fabricated by continuously delivered HAuCl(4) and PVP starting solutions into l-ascorbic acid aqueous solution in the presence of gold seeds, and under addition of sodium hydroxide (NaOH). By continuously delivered PVP and HAuCl(4) starting solutions in the presence of gold seed, the size and shape of polyhedral gold were achieved in relatively good uniformity (particle size distribution=65-95 nm). Morphological evolution was also attempted using different growth rates of crystal facets with increasing reaction temperature, and selective adsorption of PVP.

2-(2-Hydroxyphenyl)benzimidazole-based four-coordinate boron-containing materials with highly efficient deep-blue photoluminescence and electroluminescence.

PubMed

Zhang, Zhenyu; Zhang, Houyu; Jiao, Chuanjun; Ye, Kaiqi; Zhang, Hongyu; Zhang, Jingying; Wang, Yue

2015-03-16

Two novel four-coordinate boron-containing emitters 1 and 2 with deep-blue emissions were synthesized by refluxing a 2-(2-hydroxyphenyl)benzimidazole ligand with triphenylborane or bromodibenzoborole. The boron chelation produced a new π-conjugated skeleton, which rendered the synthesized boron materials with intense fluorescence, good thermal stability, and high carrier mobility. Both compounds displayed deep-blue emissions in solutions with very high fluorescence quantum yields (over 0.70). More importantly, the samples showed identical fluorescence in the solution and solid states, and the efficiency was maintained at a high level (approximately 0.50) because of the bulky substituents between the boron atom and the benzimidazole unit, which can effectively separate the flat luminescent units. In addition, neat thin films composed of 1 or 2 exhibited high electron and hole mobility in the same order of magnitude 10(-4), as determined by time-of-flight. The fabricated electroluminescent devices that employed 1 or 2 as emitting materials showed high-performance deep-blue emissions with Commission Internationale de L'Eclairage (CIE) coordinates of (X = 0.15, Y = 0.09) and (X = 0.16, Y = 0.08), respectively. Thus, the synthesized boron-containing materials are ideal candidates for fabricating high-performance deep-blue organic light-emitting diodes.

MEMBRANE TECHNOLOGY: OPPORTUNITIES FOR POLYHEDRAL OLIGOMERIC SILSESQUIOXANES (POSS) IN MEMBRANE-BASED SEPARATIONS

EPA Science Inventory

Membrane Technology: Opportunities for Polyhedral Oligomeric Silsesquioxanes (POSS?) in Membrane-Based Separations

Leland M. Vane, Ph.D.
U.S. Environmental Protection Agency
Office of Research & Development
Cincinnati, OH 45268
Vane.Leland@epa.gov

A sign...

Investigation into the Effects of Boron on Liver Tissue Protein Carbonyl, MDA, and Glutathione Levels in Endotoxemia.

PubMed

Balabanlı, Barbaros; Balaban, Tuba

2015-10-01

Endotoxin has been known to cause the formation and damage of free radical. The importance of boron for human life is increasing each passing day, and its consuming fields are continuing to expand due to the advances in science and technology. Therefore, in our study, we intended to investigate into the effects of boron on liver tissue oxidative events. Eighteen male Wistar albino rats were randomly separated into three equal groups in the experiments; control group, boron + endotoxin group, and endotoxin group. Dissolved in distilled water, boric acid (100 mg/kg) was administered to boron + endotoxin group via gavage procedure for 28 days. Only distilled water was administered to control and endotoxin groups via gavage procedure for 28 days. Then 4 mg/kg endotoxin (LPS; Escherichia coli 0111:B4) was intraperitoneally (ip) administered to boron + endotoxin and endotoxin groups on the 28th day. Sterile saline was injected into control group on the 28th day (ip). Malondialdehyde (MDA), which is the end product of lipid peroxidation in liver tissues, protein carbonyl compounds (PC), which are protein oxidization markers, and glutathione (GSH) levels were measured spectrophotometrically. The results were compared with Mann-Whitney U test. When boron + endotoxin group is compared with endotoxin group, PC levels of endotoxin group showed a significant increase. When GSH levels are compared, GSH level in boron + endotoxin group decreased according to endotoxin group. Variations among all groups in MDA levels were found to be statistically insignificant. We are of the opinion that endotoxin affects the proteins by forming free radicals, and boron may also cause the structural and/or functional changes in proteins in order to protect proteins from oxidization.

Study of Synthesis of N-Nitroborazine Compounds. I. Nitryl Chloride as Nitrating Agent.

DTIC Science & Technology

dinitrogen tetroxide (N2O4) as the solid complexes of boron trifluoride (BF3). Nearly water-white nitryl chloride was obtained in this manner. A tinge of...yellow was attributed to the presence of chlorine . The reaction of nitryl chloride with a model compound, lithium dimethylamide, was found to yield

Curcumin derivatives as HIV-1 protease inhibitors

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

Sui, Z.; Li, J.; Craik, C.S.

1993-12-31

Curcumin, a non-toxic natural compound from Curcuma longa, has been found to be an HIV-1 protease inhibitor. Some of its derivatives were synthesized and their inhibitory activity against the HIV-1 protease was tested. Curcumin analogues containing boron enhanced the inhibitory activity. At least of the the synthesized compounds irreversibly inhibits the HIV-1 protease.

Polyhedral oligomeric silsesquioxane grafted polymer in polymeric foam

DOEpatents

King, Bruce A.; Patankar, Kshitish A.; Costeux, Stephane; Jeon, Hyun K.

2017-01-17

A polymeric foam article with a polymer matrix defining multiple cells therein has a polymer component with a first polymer that is a polyhedral oligomeric silsesquioxane grafted polymer that has a weight-average molecular weight of two kilograms per mole or higher and 200 kilograms per mole or lower.

Polyhedral Sculpture: The Path from Computational Artifact to Real-World Mathematical Object.

ERIC Educational Resources Information Center

Eisenberg, Michael; Nishioka, Ann

Mathematics educators often despair at math's austere, "abstract" reputation. This paper describes recent work in developing an application named "HyperGami," which is designed to integrate both the abstract and"real-world" aspects of mathematics by allowing children to design and construct polyhedral models and…

Boron-containing organic pigments from a Jurassic red alga

PubMed Central

Wolkenstein, Klaus; Gross, Jürgen H.; Falk, Heinz

2010-01-01

Organic biomolecules that have retained their basic chemical structures over geological periods (molecular fossils) occur in a wide range of geological samples and provide valuable paleobiological, paleoenvironmental, and geochemical information not attainable from other sources. In rare cases, such compounds are even preserved with their specific functional groups and still occur within the organisms that produced them, providing direct information on the biochemical inventory of extinct organisms and their possible evolutionary relationships. Here we report the discovery of an exceptional group of boron-containing compounds, the borolithochromes, causing the distinct pink coloration of well-preserved specimens of the Jurassic red alga Solenopora jurassica. The borolithochromes are characterized as complicated spiroborates (boric acid esters) with two phenolic moieties as boron ligands, representing a unique class of fossil organic pigments. The chiroptical properties of the pigments unequivocally demonstrate a biogenic origin, at least of their ligands. However, although the borolithochromes originated from a fossil red alga, no analogy with hitherto known present-day red algal pigments was found. The occurrence of the borolithochromes or their possible diagenetic products in the fossil record may provide additional information on the classification and phylogeny of fossil calcareous algae. PMID:20974956

Boron-containing organic pigments from a Jurassic red alga.

PubMed

Wolkenstein, Klaus; Gross, Jürgen H; Falk, Heinz

2010-11-09

Organic biomolecules that have retained their basic chemical structures over geological periods (molecular fossils) occur in a wide range of geological samples and provide valuable paleobiological, paleoenvironmental, and geochemical information not attainable from other sources. In rare cases, such compounds are even preserved with their specific functional groups and still occur within the organisms that produced them, providing direct information on the biochemical inventory of extinct organisms and their possible evolutionary relationships. Here we report the discovery of an exceptional group of boron-containing compounds, the borolithochromes, causing the distinct pink coloration of well-preserved specimens of the Jurassic red alga Solenopora jurassica. The borolithochromes are characterized as complicated spiroborates (boric acid esters) with two phenolic moieties as boron ligands, representing a unique class of fossil organic pigments. The chiroptical properties of the pigments unequivocally demonstrate a biogenic origin, at least of their ligands. However, although the borolithochromes originated from a fossil red alga, no analogy with hitherto known present-day red algal pigments was found. The occurrence of the borolithochromes or their possible diagenetic products in the fossil record may provide additional information on the classification and phylogeny of fossil calcareous algae.

Flame retardant finishing of cotton fabric based on synergistic compounds containing boron and nitrogen.

PubMed

Xie, Kongliang; Gao, Aiqin; Zhang, Yongsheng

2013-10-15

Boric acid and compound containing nitrogen, 2,4,6-tri[(2-hydroxy-3-trimethyl-ammonium)propyl]-1,3,5-triazine chloride (Tri-HTAC) were used to finish cotton fabric. The flame retardant properties of the finished cotton fabrics and the synergetic effects of boron and nitrogen elements were investigated and evaluated by limited oxygen index (LOI) method. The mechanism of cross-linking reaction among cotton fiber, Tri-HTAC, and boric acid was discussed by FTIR and element analysis. The thermal stability and surface morphology of the finished cotton fabrics were investigated by thermogravimetric analysis (TGA) and scanning electron microscope (SEM), respectively. The finishing system of the mixture containing boron and nitrogen showed excellent synergistic flame retardancy for cotton fabric. The cotton fabric finished with mixture system had excellent flame retardancy. The LOI value of the treated cotton fabric increased over 27.5. Tri-HTAC could form covalent bonds with cellulose fiber and boric acid. The flame retardant cotton fabric showed a slight decrease in tensile strength and whiteness. The surface morphology of flame retardant cotton fiber was smooth. Copyright © 2013 Elsevier Ltd. All rights reserved.

New Boron Analogues of Pyrophosphates and Deoxynucleoside Boranophosphates

PubMed Central

Vyakaranam, Kamesh; Rana, Geeta; Spielvogel, Bernard F.

2001-01-01

Tetraethyldicyanoborane pyrophosphate (2) and 3'-(diethylphosphite-cyanoborano)-5'-dimethoxytrityl.N4-benzoyl-deoxycytidine (3) have been synthesized in 70% and 76% yields, respectively. The compatibility of the substituted boranophosphates with common protecting groups is hereby demonstrated. Boron containing biologically active compounds, such as nucleosides and nucleotides 1-6 and amino acids 7-9 are important due to their potential therapeutic activity, research and diagnostic applications. Many boron containing compounds have shown promising activity as anticancer, 10. 11. 12 antiinflammatory,13 and antiosteoporotic 13agents. Oligonucleotdes in which a non-bridging oxygen atom is replaced by a borane(BH3) group are a very important class of modified nucleic acids. 1. 3. 14-16 The BH3 group is isoelectronic with oxygen in natural oligonucleotides and isoelectronic and isostructural with the oligonucleotide methyl phosphonates, which are nuclease resistant. On the other hand, the α-borano triphosphates are good substrates for DNA polymerases and incorporation of boranophosphates into DNA causes an increase in the resistance to exo- and endonucleases 2. 17a as compared to non-modified DNA. There are also notable applications of the α-borano triphosphates in PCR sequencing 17a and nucleic acid detection 17b. PMID:18475988

Nuclear magnetic resonance study of Gd-based nanoparticles to tag boron compounds in boron neutron capture therapy

NASA Astrophysics Data System (ADS)

Corti, M.; Bonora, M.; Borsa, F.; Bortolussi, S.; Protti, N.; Santoro, D.; Stella, S.; Altieri, S.; Zonta, C.; Clerici, A. M.; Cansolino, L.; Ferrari, C.; Dionigi, P.; Porta, A.; Zanoni, G.; Vidari, G.

2011-04-01

We report the investigation of new organic complexes containing a magnetic moment (Gd-based molecular nanomagnets), which can serve the double purpose of acting as boron neutron capture therapy (BNCT) agents, and at the same time act as contrast agents to detect the molecule in the tissue by a proton magnetic resonance imaging (MRI). We also explore the possibility of monitoring the concentration of the BNCT agent directly via proton and boron NMR relaxation. The absorption of 10B-enriched molecules inside tumoral liver tissues has been shown by NMR measurements and confirmed by α spectroscopy. A new molecular Gd-tagged nanomagnet and BNCT agent (GdBPA) has been synthesized and characterized measuring its relaxivity R1 between 10 kHz and 66 MHz, and its use as a contrast agent in MRI has been demonstrated. The NMR-based evidence of the absorption of GdBPA into living tumoral cells is also shown.

Iterative reactions of transient boronic acids enable sequential C-C bond formation

NASA Astrophysics Data System (ADS)

Battilocchio, Claudio; Feist, Florian; Hafner, Andreas; Simon, Meike; Tran, Duc N.; Allwood, Daniel M.; Blakemore, David C.; Ley, Steven V.

2016-04-01

The ability to form multiple carbon-carbon bonds in a controlled sequence and thus rapidly build molecular complexity in an iterative fashion is an important goal in modern chemical synthesis. In recent times, transition-metal-catalysed coupling reactions have dominated in the development of C-C bond forming processes. A desire to reduce the reliance on precious metals and a need to obtain products with very low levels of metal impurities has brought a renewed focus on metal-free coupling processes. Here, we report the in situ preparation of reactive allylic and benzylic boronic acids, obtained by reacting flow-generated diazo compounds with boronic acids, and their application in controlled iterative C-C bond forming reactions is described. Thus far we have shown the formation of up to three C-C bonds in a sequence including the final trapping of a reactive boronic acid species with an aldehyde to generate a range of new chemical structures.

Chemical treatment of wastewater from flue gas desulphurisation

NASA Astrophysics Data System (ADS)

Pasiecznik, Iwona; Szczepaniak, Włodzimierz

2017-11-01

The article presents results of laboratory tests of removing boron and arsenium from non-ideal solutions using double-layered magnesium/aluminium hydroxides (Mg/Al Double-Layered Hydroxide - DLH) produced with nitrate-chloride method. In research, wastewater from an installation for flue gas desulfurization was examined. Double-layered hydroxides are perfect absorbents for anionic compounds. The research proved high effectiveness of preparation with reference to arsenium, as well as confirmed the effect of presence of sulfatic and arsenate ions on the effectiveness of boron removal. On the basis of research on absorption kinetics a theoretical dose of DLH/NO3-Cl/M preparation was calculated and compared with a dose that ensures emimination of boron below the limit standarized by the national regulations. Application of double-layered magnesium/aluminium hydroxides for boron elimination from industrial wastewater requires significantly higher doses of preparation than those calculated in model investigations. It is due to the priority of removal of multivalent ions, such as sulfatic, arsenate or phosphate ions, by DLH/NO3-Cl/M.

Shock-induced reaction synthesis of cubic boron nitride

NASA Astrophysics Data System (ADS)

Beason, M. T.; Pauls, J. M.; Gunduz, I. E.; Rouvimov, S.; Manukyan, K. V.; Matouš, K.; Son, S. F.; Mukasyan, A.

2018-04-01

Here, we report ultra-fast (0.1-5 μs) shock-induced reactions in the 3B-TiN system, leading to the direct synthesis of cubic boron nitride, which is extremely rare in nature and is the second hardest material known. Composite powders were produced through high-energy ball milling to provide intimate mixing and subsequently shocked using an explosive charge. High-resolution transmission electron microscopy and X-ray diffraction confirm the formation of nanocrystalline grains of c-BN produced during the metathetical reaction between boron and titanium nitride. Our results illustrate the possibility of rapid reactions enabled by high-energy ball milling possibly occurring in the solid state on incredibly short timescales. This process may provide a route for the discovery and fabrication of advanced compounds.

Nanostructured Boron Nitride With High Water Dispersibility For Boron Neutron Capture Therapy

PubMed Central

Singh, Bikramjeet; Kaur, Gurpreet; Singh, Paviter; Singh, Kulwinder; Kumar, Baban; Vij, Ankush; Kumar, Manjeet; Bala, Rajni; Meena, Ramovatar; Singh, Ajay; Thakur, Anup; Kumar, Akshay

2016-01-01

Highly water dispersible boron based compounds are innovative and advanced materials which can be used in Boron Neutron Capture Therapy for cancer treatment (BNCT). Present study deals with the synthesis of highly water dispersible nanostructured Boron Nitride (BN). Unique and relatively low temperature synthesis route is the soul of present study. The morphological examinations (Scanning/transmission electron microscopy) of synthesized nanostructures showed that they are in transient phase from two dimensional hexagonal sheets to nanotubes. It is also supported by dual energy band gap of these materials calculated from UV- visible spectrum of the material. The theoretically calculated band gap also supports the same (calculated by virtual nano lab Software). X-ray diffraction (XRD) analysis shows that the synthesized material has deformed structure which is further supported by Raman spectroscopy. The structural aspect of high water disperse ability of BN is also studied. The ultra-high disperse ability which is a result of structural deformation make these nanostructures very useful in BNCT. Cytotoxicity studies on various cell lines (Hela(cervical cancer), human embryonic kidney (HEK-293) and human breast adenocarcinoma (MCF-7)) show that the synthesized nanostructures can be used for BNCT. PMID:27759052

Apoptosis through Bcl-2/Bax and Cleaved Caspase Up-Regulation in Melanoma Treated by Boron Neutron Capture Therapy

PubMed Central

Faião-Flores, Fernanda; Coelho, Paulo Rogério Pinto; Toledo Arruda-Neto, João Dias; Maria-Engler, Silvya Stuchi; Tiago, Manoela; Capelozzi, Vera Luiza; Giorgi, Ricardo Rodrigues; Maria, Durvanei Augusto

2013-01-01

Boron neutron capture therapy (BNCT) is a binary treatment involving selective accumulation of boron carriers in a tumor followed by irradiation with a thermal or epithermal neutron beam. The neutron capture reaction with a boron-10 nucleus yields high linear energy transfer (LET) particles, alpha and 7Li, with a range of 5 to 9 µm. These particles can only travel very short distances and release their damaging energy directly into the cells containing the boron compound. We aimed to evaluate proliferation, apoptosis and extracellular matrix (ECM) modifications of B16F10 melanoma and normal human melanocytes after BNCT. The amounts of soluble collagen and Hsp47, indicating collagen synthesis in the ECM, as well as the cellular markers of apoptosis, were investigated. BNCT decreased proliferation, altered the ECM by decreasing collagen synthesis and induced apoptosis by regulating Bcl-2/Bax in melanoma. Additionally, BNCT also increased the levels of TNF receptor and the cleaved caspases 3, 7, 8 and 9 in melanoma. These results suggest that multiple pathways related to cell death and cell cycle arrest are involved in the treatment of melanoma by BNCT. PMID:23527236

Nanostructured Boron Nitride With High Water Dispersibility For Boron Neutron Capture Therapy

NASA Astrophysics Data System (ADS)

Singh, Bikramjeet; Kaur, Gurpreet; Singh, Paviter; Singh, Kulwinder; Kumar, Baban; Vij, Ankush; Kumar, Manjeet; Bala, Rajni; Meena, Ramovatar; Singh, Ajay; Thakur, Anup; Kumar, Akshay

2016-10-01

Highly water dispersible boron based compounds are innovative and advanced materials which can be used in Boron Neutron Capture Therapy for cancer treatment (BNCT). Present study deals with the synthesis of highly water dispersible nanostructured Boron Nitride (BN). Unique and relatively low temperature synthesis route is the soul of present study. The morphological examinations (Scanning/transmission electron microscopy) of synthesized nanostructures showed that they are in transient phase from two dimensional hexagonal sheets to nanotubes. It is also supported by dual energy band gap of these materials calculated from UV- visible spectrum of the material. The theoretically calculated band gap also supports the same (calculated by virtual nano lab Software). X-ray diffraction (XRD) analysis shows that the synthesized material has deformed structure which is further supported by Raman spectroscopy. The structural aspect of high water disperse ability of BN is also studied. The ultra-high disperse ability which is a result of structural deformation make these nanostructures very useful in BNCT. Cytotoxicity studies on various cell lines (Hela(cervical cancer), human embryonic kidney (HEK-293) and human breast adenocarcinoma (MCF-7)) show that the synthesized nanostructures can be used for BNCT.

Matrix Effects on Boron Containing Materials due to Laser Ablation Molecular Isotopic Spectrometry (LAMIS)

NASA Astrophysics Data System (ADS)

Brown, Staci R.; Akpovo, Charlemagne A.; Martinez, Jorge; Ford, Alan; Herbert, Kenley; Johnson, Lewis

2014-03-01

Laser Induced Breakdown Spectroscopy (LIBS) is a spectroscopic technique that is used for the qualitative and quantitative analysis of materials in the liquid, solid, or gas phase. LIBS can also be used for the detection of isotopic shifts in atomic and diatomic species via Laser-Ablation Molecular Isotopic Spectroscopy (LAMIS). However, any additional elements that are entrained into the plasma other than the element of interest, can affect the extent of ablation and quality of spectra and hence, potentially obscure or aid in the relative abundance assessment for a given element. To address the importance of matrix effects, the isotopic analysis of boron obtained from boron oxide (BO) emission originating from different boron-containing compounds, such as boron nitride (BN), boric acid (H3BO3) , and borax (Na2B4O710H2O), via LIBS has been performed here. Each of these materials has different physical properties and elemental composition in order to illustrate possible challenges for the LAMIS method. A calibration-free model similar to that for the original LAMIS work is used to determine properties of the plasma as the matrix is changed. DTRA

Boronic acid-containing CXCR1/2 antagonists: Optimization of metabolic stability, in vivo evaluation, and a proposed receptor binding model.

PubMed

Maeda, Dean Y; Peck, Angela M; Schuler, Aaron D; Quinn, Mark T; Kirpotina, Liliya N; Wicomb, Winston N; Auten, Richard L; Gundla, Rambabu; Zebala, John A

2015-06-01

Blockade of undesired neutrophil migration to sites of inflammation remains an area of substantial pharmaceutical interest. To effect this blockade, a validated therapeutic target is antagonism of the chemokine receptor CXCR2. Herein we report the discovery of 6-(2-boronic acid-5-trifluoromethoxy-benzylsulfanyl)-N-(4-fluoro-phenyl)-nicotinamide 6, an antagonist with activity at both CXCR1 and CXCR2 receptors (IC50 values 31 and 21 nM, respectively). Compound 6 exhibited potent inhibition of neutrophil influx in a rat model of pulmonary inflammation, and is hypothesized to interact with a unique intracellular binding site on CXCR2. Compound 6 (SX-576) is undergoing further investigation as a potential therapy for pulmonary inflammation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Electrochemical oxidation of nitrogen-heterocyclic compounds at boron-doped diamond electrode.

PubMed

Xing, Xuan; Zhu, Xiuping; Li, Hongna; Jiang, Yi; Ni, Jinren

2012-01-01

Nitrogen-heterocyclic compounds (NHCs) are toxic and bio-refractory contaminants widely spread in environment. This study investigated electrochemical degradation of NHCs at boron-doped diamond (BDD) anode with particular attention to the effect of different number and position of nitrogen atoms in molecular structure. Five classical NHCs with similar structures including indole (ID), quinoline (QL), isoquinoline (IQL), benzotriazole (BT) and benzimidazole (BM) were selected as the target compounds. Results of bulk electrolysis showed that degradation of all NHCs was fit to a pseudo first-order equation. The five compounds were degraded with the following sequence: ID>QL>IQL>BT>BM in terms of their rates of oxidation. Quantum chemical calculation was combined with experimental results to describe the degradation character of NHCs at BDD anode. A linear relationship between degradation rate and delocalization energy was observed, which demonstrated that electronic charge was redistributed through the conjugation system and accumulated at the active sites under the attack of hydroxyl radicals produced at BDD anode. Moreover, atom charge was calculated by semi empirical PM3 method and active sites of NHCs were identified respectively. Analysis of intermediates by GC-MS showed agreement with calculation results. Copyright © 2011 Elsevier Ltd. All rights reserved.

Novel boronic acid derivatives of bis(indolyl) methane as anti-MRSA agents.

PubMed

Mandal, Santi M; Pegu, Rupa; Porto, William F; Franco, Octavio L; Pratihar, Sanjay

2017-05-15

Towards the search for a new generation of antibiotics to control methicillin-resistant Staphylococcus aureus (MRSA), the design and synthesis of various bis indolyl methane (BIM) derivatives based on their different electron donor and acceptor properties of the substituents have been made, in which boronic acid derivatives of BIM are found to be active against MRSA. The observed evidence with the lead compound reveals their strong anti-MRSA activity, which paves the way of design and further development of a new generation antibiotics. Copyright © 2017 Elsevier Ltd. All rights reserved.

LiBSi2: a tetrahedral semiconductor framework from boron and silicon atoms bearing lithium atoms in the channels.

PubMed

Zeilinger, Michael; van Wüllen, Leo; Benson, Daryn; Kranak, Verina F; Konar, Sumit; Fässler, Thomas F; Häussermann, Ulrich

2013-06-03

Silicon swallows up boron: The novel open tetrahedral framework structure (OTF) of the Zintl phase LiBSi2 was made by applying high pressure to a mixture of LiB and elemental silicon. The compound represents a new topology in the B-Si net (called tum), which hosts Li atoms in the channels (see picture). LiBSi2 is the first example where B and Si atoms form an ordered common framework structure with B engaged exclusively in heteronuclear B-Si contacts.

Thermal neutron scintillators using unenriched boron nitride and zinc sulfide

NASA Astrophysics Data System (ADS)

McMillan, J. E.; Cole, A. J.; Kirby, A.; Marsden, E.

2015-06-01

Thermal neutron detectors based on powdered zinc sulfide intimately mixed with a neutron capture compound have a history as long as scintillation technique itself. We show that using unenriched boron nitride powder, rather than the more commonly used enriched lithium fluoride, results in detection screens which produce less light but which are very considerably cheaper. Methods of fabricating large areas of this material are presented. The screens are intended for the production of large area low cost neutron detectors as a replacement for helium-3 proportional tubes.

Development of nanosensors in nuclear technology

NASA Astrophysics Data System (ADS)

Hassan, Thamir A. A.

2017-01-01

Selectivity, sensitivity, and stability (three S parameters) are developed as a new range of sensor this provided instruments for harsh, radioactive waste polluted environment monitoring. Isotope effect is very effective for nuclear radiation sensors preparation.in this presentation are reviewed of the development of Nanosensors in nuclear technology, such as high temperature boron and its compounds with suitable physical and chemical features as sensitive element for temperature and nuclear sensor, Boron isotopes based semiconductor nanosensors and studies of the mechanism of the removal uranium from radioactive wastewater with graphene oxide (GO).

Boron, bismuth co-doping of gallium arsenide and other compounds for photonic and heterojunction bipolar transistor devices

DOEpatents

Mascarenhas, Angelo

2015-07-07

Isoelectronic co-doping of semiconductor compounds and alloys with acceptors and deep donors is sued to decrease bandgap, to increase concentration of the dopant constituents in the resulting alloys, and to increase carrier mobilities lifetimes. For example, Group III-V compounds and alloys, such as GaAs and GaP, are isoelectronically co-doped with, for example, B and Bi, to customize solar cells, and other semiconductor devices. Isoelectronically co-doped Group II-VI compounds and alloys are also included.

A Novel Type of Polyhedral Viruses Infecting Hyperthermophilic Archaea.

PubMed

Liu, Ying; Ishino, Sonoko; Ishino, Yoshizumi; Pehau-Arnaudet, Gérard; Krupovic, Mart; Prangishvili, David

2017-07-01

Encapsidation of genetic material into polyhedral particles is one of the most common structural solutions employed by viruses infecting hosts in all three domains of life. Here, we describe a new virus of hyperthermophilic archaea, Sulfolobus polyhedral virus 1 (SPV1), which condenses its circular double-stranded DNA genome in a manner not previously observed for other known viruses. The genome complexed with virion proteins is wound up sinusoidally into a spherical coil which is surrounded by an envelope and further encased by an outer polyhedral capsid apparently composed of the 20-kDa virion protein. Lipids selectively acquired from the pool of host lipids are integral constituents of the virion. None of the major virion proteins of SPV1 show similarity to structural proteins of known viruses. However, minor structural proteins, which are predicted to mediate host recognition, are shared with other hyperthermophilic archaeal viruses infecting members of the order Sulfolobales The SPV1 genome consists of 20,222 bp and contains 45 open reading frames, only one-fifth of which could be functionally annotated. IMPORTANCE Viruses infecting hyperthermophilic archaea display a remarkable morphological diversity, often presenting architectural solutions not employed by known viruses of bacteria and eukaryotes. Here we present the isolation and characterization of Sulfolobus polyhedral virus 1, which condenses its genome into a unique spherical coil. Due to the original genomic and architectural features of SPV1, the virus should be considered a representative of a new viral family, "Portogloboviridae." Copyright © 2017 American Society for Microbiology.

Modeling IrisCode and its variants as convex polyhedral cones and its security implications.

PubMed

Kong, Adams Wai-Kin

2013-03-01

IrisCode, developed by Daugman, in 1993, is the most influential iris recognition algorithm. A thorough understanding of IrisCode is essential, because over 100 million persons have been enrolled by this algorithm and many biometric personal identification and template protection methods have been developed based on IrisCode. This paper indicates that a template produced by IrisCode or its variants is a convex polyhedral cone in a hyperspace. Its central ray, being a rough representation of the original biometric signal, can be computed by a simple algorithm, which can often be implemented in one Matlab command line. The central ray is an expected ray and also an optimal ray of an objective function on a group of distributions. This algorithm is derived from geometric properties of a convex polyhedral cone but does not rely on any prior knowledge (e.g., iris images). The experimental results show that biometric templates, including iris and palmprint templates, produced by different recognition methods can be matched through the central rays in their convex polyhedral cones and that templates protected by a method extended from IrisCode can be broken into. These experimental results indicate that, without a thorough security analysis, convex polyhedral cone templates cannot be assumed secure. Additionally, the simplicity of the algorithm implies that even junior hackers without knowledge of advanced image processing and biometric databases can still break into protected templates and reveal relationships among templates produced by different recognition methods.

Hydrothermal synthesis of iron phosphate microspheres constructed by mesoporous polyhedral nanocrystals

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

Song, Haojie; Sun, Yali; Jia, Xiaohua, E-mail: Jiaxh@ujs.edu.cn

2015-09-15

Novel monodispersed Fe{sub 5}(PO{sub 4}){sub 4}(OH){sub 3}·2H{sub 2}O microspheres with the diameters of several micrometers were prepared by a facile one-step hydrothermal method without using any templates, only employing FeCl{sub 3}·6H{sub 2}O and NaNH{sub 4}HPO{sub 4} as the initial materials. The obtained samples were analyzed by X-ray diffraction (XRD), scanning electron microscopy (SEM), and high-resolution transmission electron microscopy (HR-TEM), respectively. The characterizations revealed that the as-prepared microspheres are constructed by the polyhedral nanoparticles with an average diameter of 100 nm. The corresponding FePO{sub 4} microspheres assembled by mesoporous polyhedral nanocrystals can be easily obtained by calcining a sphere-like Fe{sub 5}(PO{submore » 4}){sub 4}(OH){sub 3}·2H{sub 2}O precursor. - Graphical abstract: Novel monodispersed Fe{sub 5}(PO{sub 4}){sub 4}(OH){sub 3}·H{sub 2}O microspheres with a diameter of several micrometers were successfully obtained by a simple, template-free hydrothermal route. FePO{sub 4} microspheres constructed by mesoporous polyhedral FePO{sub 4} nanocrystals could be easily prepared by calcining an Fe{sub 5}(PO{sub 4}){sub 4}(OH){sub 3}·2H{sub 2}O precursor. Display Omitted - Highlights: • Monodispersed Fe{sub 5}(PO{sub 4}){sub 4}(OH){sub 3}·2H{sub 2}O microspheres were prepared by a facile hydrothermal method without using any templates • Fe{sub 5}(PO{sub 4}){sub 4}(OH){sub 3}·2H{sub 2}O microspheres present a novel morphology, which was constructed by closely polyhedral nanoparticles. • The FePO{sub 4} microspheres assembled by mesoporous polyhedral nanocrystals obtained by calcining Fe{sub 5}(PO{sub 4}){sub 4}(OH){sub 3}·2H{sub 2}O precursor.« less

Stability and molecular properties of the boron-nitrogen alternating analogs of azulene and naphthalene: a computational study.

PubMed

Catão, Anderson José Lopes; López-Castillo, Alejandro

2017-04-01

In this work, the spectroscopic information, stability and aromaticity of the boron-nitrogen azulene and naphthalene molecules are provided by the use of CC2 (geometry optimization, dipole moment, UV-vis spectrum calculations) and DFT (vibrational spectrum and NMR calculations) methodologies. One isomer of the investigated boron-nitrogen naphthalene (boroazanaphthalene) and two isomers of boron-nitrogen azulene, 1,3,4,6,8-pentaaza-2,3a,5,7,8a-pentaboraazulene (BN-azulene) and 2,3a,5,7,8a-pentaaza-1,3,4,6,8- pentaboraazulene (NB-azulene), are stable systems. However, these molecules have different properties, i.e., different stability, dipole moment, and aromaticity based on the NICS approach. BN-naphthalene has a high dipole moment magnitude showing high polar character, while naphthalene is apolar. BN- and NB-azulene are weakly polar, while ordinary azulene is highly polar in character. Also, substitution of C atoms by B and N atoms decreases the aromaticity. In the case of NB-azulene, the seven-membered ring has anti-aromaticity behavior while both rings of BN-azulene exhibit aromaticity. We expect that the new theoretical data provided in this work will be useful in identifying and characterizing experimentally the compounds investigated, and in helping our understanding of the chemistry of boron-nitrogen molecules. Graphical abstract Boron-nitrogen alternating analogs of azulene. Spectral distinction between isomers.

Spectrophotometric determination of boric acid in boron powder with curcumin

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

Grotheer, E.W.

1979-12-01

A rapid and accurate method was needed to determine trace amounts of boric acid for quality control and specification testing of elemental boron. The reaction between boric acid and curcumin occurs at a measurable rate only when the curcumin molecule is protonated. Protonation takes place at the carbonyl groups in the presence of a strong acid and occurs completely and rapidly when sulfuric acid is added to a solution of curcumin in acetic acid. Spectrophotometric measurements were made. The extraction of boric acid from boron powder was found to be complete within 2h when either water or the diol solutionmore » was used. Whatman No. 40 cr 42 filter paper was used to obtain diol samples free of boron particles. The extraction efficiency of 2-ethyl-1,3-hexanediol was evaluated by adding 1 ml of 500 ppM aqueous boric acid and 1 drop of 10% NaOH to accurately weighed samples of boron powder. The water then was evaporated at room temperature and the samples were extracted with diol solution. The data obtained are included. The extraction efficiency also was evaluated by determining the boric acid content of boron which had been recovered from a previous extraction and boric acid determination. The determination of boric acid using curcumin is unaffected by the presence of other compounds, except for fluoride and nitrate ions. 2 tables. (DP)« less

Boron Neutron Capture Therapy for HER2+ breast cancers: A feasibility study evaluating BNCT for potential role in breast conservation therapies

NASA Astrophysics Data System (ADS)

Jenkins, Peter Anthony

A novel Boron Neutron Capture Therapy (BNCT) regimen for the treatment of HER2+ breast cancers has been proposed as an alternative to whole breast irradiation for breast conservation therapy patients. The proposed therapy regimen is based on the assumed production of boron delivery agents that would be synthesized from compounds of Trastuzumab (Herceptin ®) and oligomeric phosphate diesters (OPDs). The combination of the anti-HER2 monoclonal antibody and the high boron loading capability of OPDs has led to the assumption that boron could be delivered to the HER2+ cancer cells at Tumor to Healthy Tissue ratios (T:H) of up to 35:1 and boron concentrations above 50 μg/g. This significantly increased boron delivery efficiency has opened new BNCT possibilities. This proof of concept study examined treatment parameters derived as the results in previous efforts in the context of patient-specific geometry and compared calculated dose results to those observed during actual patient therapy. These results were based on dose calculations performed with a set of calculated Kerma coefficients derived from tissues specific to the regions of interest for breast cancer. A comparison was made of the dose to the tumor region, the patient's skin, and the peripheral organs. The results of this study demonstrated that, given the performance of the proposed boron delivery agent, the BNCT treatment regimen is feasible. The feasibility is based on the findings that the equivalent dose could be delivered to the treatment volume with less dose to the skin and peripheral organs. This is anticipated to improve the treatment outcomes by maintaining local control of tumor cells while reducing dose to healthy tissues.

How to collect and process small polyhedral viruses of insects

Treesearch

Franklin B. Lewis

1960-01-01

The past few years have seen increased interest in and use of microbial agents for the control of destructive forest insects. One of the most successful applications of this control method has been the use of the polyhedral virus disease of the European pine sawfly, Neodiprion sertifer (Geoff.). Control of this insect by its specific pathogen has...

Simulation of a Single-Element Lean-Direct Injection Combustor Using a Polyhedral Mesh Derived from Hanging-Node Elements

NASA Technical Reports Server (NTRS)

Wey, Thomas; Liu, Nan-Suey

2013-01-01

This paper summarizes the procedures of generating a polyhedral mesh derived from hanging-node elements as well as presents sample results from its application to the numerical solution of a single element lean direct injection (LDI) combustor using an open-source version of the National Combustion Code (NCC).

How to collect and process large polyhedral viruses of insects

Treesearch

W. D. Rollinson; F. B. Lewis

1962-01-01

Polyhedral viruses have proved highly effective and very practical for control of certain pine sawflies; and a method of collecting and processing the small polyhedra (5 microns or less) characteristic of sawflies has been described. There is experimental evidence that the virus diseases of many Lepidopterous insects can be used similarly for direct control. The...

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.

Effect of electron-phonon coupling on the superconducting transition temperature in dodecaboride superconductors: A comparison of LuB12 with ZrB12

NASA Astrophysics Data System (ADS)

Teyssier, J.; Lortz, R.; Petrovic, A.; van der Marel, D.; Filippov, V.; Shitsevalova, N.

2008-10-01

We report a detailed study of specific heat, electrical resistivity, and optical spectroscopy in the superconducting boride LuB12 (Tc=0.4K) , and compare it to the higher Tc compound ZrB12 (Tc=6K) . Both compounds have the same structure based on enclosed metallic Lu or Zr ions in oversized boron cages. The infrared reflectivity and ellipsometry in the visible range allow us to extract the optical conductivity from 6 meV to 4 eV in the normal state from 20 to 280 K. By extracting the superconducting properties, phonon density of states, and electron-phonon coupling function from these measurements, we discuss the important factors governing Tc and explain the difference between the two compounds. The phonon density of states seems to be insignificantly modified by substitution of Zr with Lu. However, the soft vibrations of the metal ions in boron cages, responsible for the relatively high Tc in ZrB12 , have almost no contribution to the electron-phonon coupling in LuB12 .

MCNP simulation of the dose distribution in liver cancer treatment for BNC therapy

NASA Astrophysics Data System (ADS)

Krstic, Dragana; Jovanovic, Zoran; Markovic, Vladimir; Nikezic, Dragoslav; Urosevic, Vlade

2014-10-01

The Boron Neutron Capture Therapy ( BNCT) is based on selective uptake of boron in tumour tissue compared to the surrounding normal tissue. Infusion of compounds with boron is followed by irradiation with neutrons. Neutron capture on 10B, which gives rise to an alpha particle and recoiled 7Li ion, enables the therapeutic dose to be delivered to tumour tissue while healthy tissue can be spared. Here, therapeutic abilities of BNCT were studied for possible treatment of liver cancer using thermal and epithermal neutron beam. For neutron transport MCNP software was used and doses in organs of interest in ORNL phantom were evaluated. Phantom organs were filled with voxels in order to obtain depth-dose distributions in them. The result suggests that BNCT using an epithermal neutron beam could be applied for liver cancer treatment.

Asymmetric twins in rhombohedral boron carbide

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

Fujita, Takeshi, E-mail: tfujita@wpi-aimr.tohoku.ac.jp; Guan, Pengfei; Madhav Reddy, K.

2014-01-13

Superhard materials consisting of light elements have recently received considerable attention because of their ultrahigh specific strength for a wide range of applications as structural and functional materials. However, the failure mechanisms of these materials subjected to high stresses and dynamic loading remain to be poorly known. We report asymmetric twins in a complex compound, boron carbide (B{sub 4}C), characterized by spherical-aberration-corrected transmission electron microscopy. The atomic structure of boron-rich icosahedra at rhombohedral vertices and cross-linked carbon-rich atomic chains can be clearly visualized, which reveals unusual asymmetric twins with detectable strains along the twin interfaces. This study offers atomic insightsmore » into the structure of twins in a complex material and has important implications in understanding the planar defect-related failure of superhard materials under high stresses and shock loading.« less

Tuning negative differential resistance in single-atomic layer boron-silicon sheets

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

Zhou, Ming-Yue; Liu, Chun-Sheng, E-mail: csliu@njupt.edu.cn, E-mail: yanxh@njupt.edu.cn; Key Laboratory of Radio Frequency and Micro-Nano Electronics of Jiangsu Province, Nanjing 210023, Jiangsu

2015-03-21

Using density functional theory and nonequilibrium Green's function formalism for quantum transport calculation, we have quantified the ballistic transport properties along different directions in two-dimensional boron-silicon (B-Si) compounds, as well as the current response to bias voltage. The conductance of the most B-Si devices is higher than the conductance of one-atom-thick boron and silicene. Furthermore, the negative differential resistance phenomenon can be found at certain B-Si stoichiometric composition, and it occurs at various bias voltages. Also, the peak-to-valley ratio is sensitive to the B-Si composition and dependent of the direction considered for B-Si monolayers. The present findings could be helpfulmore » for applications of the single-atomic layer B-Si sheets in the field of semiconductor devices or low-dimensional electronic devices.« less

DFT, FT-IR, FT-Raman and vibrational studies of 3-methoxyphenyl boronic acid

NASA Astrophysics Data System (ADS)

Patil, N. R.; Hiremath, Sudhir M.; Hiremath, C. S.

2018-05-01

The aim of this work is to study the possible stable, geometrical molecular structure, experimental and theoretical FT-IR and FT-Raman spectroscopic methods of 3-Methoxyphenyl boronic acid (3MPBA). FT-IR and FT-Raman spectra were recorded in the region of 4000-400 cm-1 and 40000-50 cm-1 respectively. The optimized geometric structure and vibrational wavenumbers of the title compound were searched by B3LYP hybrid density functional theory method with 6-311++G (d, p) basis set. The Selectedexperimentalbandswereassignedandcharacterizedonthebasisofthescaledtheoreticalwavenumbersby their potential energy distribution (PED) of the vibrational modes obtained from VEDA 4 program. Finally, the predicted calculation results were applied to simulated FT-IR and FT-Raman spectra of the title compound, which show agreement with the observed spectra. Whereas, it is observed that, the theoretical frequencies are more than the experimental one for O-H stretching vibration modes of the title molecule.

Recent Advances in Azaborine Chemistry

PubMed Central

Campbell, Patrick G.; Marwitz, Adam J. V.

2013-01-01

The chemistry of organoboron compounds has been primarily dominated by their use as powerful reagents in synthetic organic chemistry. Recently, the incorporation of boron as part of a functional target structure has emerged as a useful way to generate diversity in organic compounds. A commonly applied strategy is the replacement of a CC unit with its isoelectronic BN unit. In particular, the BN/CC isosterism of the ubiquitous arene motif has undergone a renaissance in the past decade. The parent molecule of the 1,2-dihydro-1,2-azaborine family has now been isolated. New mono- and polycyclic BN heterocycles have been synthesized for potential use in biomedical and materials science applications. This review is a tribute to Dewar's first synthesis of a monocyclic 1,2-dihydro-1,2-azaborine 50 years ago and discusses recent advances in the synthesis and characterization of carbon(C)-boron(B)-nitrogen(N)-containing heterocycles. PMID:22644658

Evaluation of Aluminum-Boron Carbide Neutron Absorbing Materials for Interim Storage of Used Nuclear Fuel

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

Wang, Lumin; Wierschke, Jonathan Brett

2015-04-08

The objective of this work was to understand the corrosion behavior of Boral® and Bortec® neutron absorbers over long-term deployment in a used nuclear fuel dry cask storage environment. Corrosion effects were accelerated by flowing humidified argon through an autoclave at temperatures up to 570°C. Test results show little corrosion of the aluminum matrix but that boron is leaching out of the samples. Initial tests performed at 400 and 570°C were hampered by reduced flow caused by the rapid build-up of solid deposits in the outlet lines. Analysis of the deposits by XRD shows that the deposits are comprised ofmore » boron trioxide and sassolite (H 3BO 3). The collection of boron- containing compounds in the outlet lines indicated that boron was being released from the samples. Observation of the exposed samples using SEM and optical microscopy show the growth of new phases in the samples. These phases were most prominent in Bortec® samples exposed at 570°C. Samples of Boral® exposed at 570°C showed minimal new phase formation but showed nearly the complete loss of boron carbide particles. Boron carbide loss was also significant in Boral samples at 400°C. However, at 400°C phases similar to those found in Bortec® were observed. The rapid loss of the boron carbide particles in the Boral® is suspected to inhibit the formation of the new secondary phases. However, Material samples in an actual dry cask environment would be exposed to temperatures closer to 300°C and less water than the lowest test. The results from this study conclude that at the temperature and humidity levels present in a dry cask environment, corrosion and boron leaching will have no effect on the performance of Boral® and Bortec® to maintain criticality control.« less

Boron and Coumaphos Residues in Hive Materials Following Treatments for the Control of Aethina tumida Murray.

PubMed

Valdovinos-Flores, Cesar; Gaspar-Ramírez, Octavio; Heras-Ramírez, María Elena; Lara-Álvarez, Carlos; Dorantes-Ugalde, José Antonio; Saldaña-Loza, Luz María

2016-01-01

In the search of alternatives for controlling Aethina tumida Murray, we recently proposed the BAA trap which uses boric acid and an attractant which mimics the process of fermentation caused by Kodamaea ohmeri in the hive. This yeast is excreted in the feces of A. tumida causing the fermentation of pollen and honey of infested hives and releasing compounds that function as aggregation pheromones to A. tumida. Since the boron is the toxic element in boric acid, the aim of this article is to assess the amount of boron residues in honey and beeswax from hives treated with the BAA trap. For this aim, the amount of bioaccumulated boron in products of untreated hives was first determined and then compared with the amount of boron of products from hives treated with the BAA trap in two distinct climatic and soil conditions. The study was conducted in the cities of Padilla, Tamaulipas, and Valladolid, Yucatan (Mexico) from August 2014 to March 2015. The quantity of boron in honey was significantly less in Yucatan than in Tamaulipas; this agrees with the boron deficiency among Luvisol and Leptosol soils found in Yucatan compared to the Vertisol soil found in Tamaulipas. In fact, the honey from Yucatan has lower boron levels than those reported in the literature. The BAA treatment was applied for four months, results show that the BAA trap does not have any residual effect in either honey or wax; i.e., there is no significant difference in boron content before and after treatment. On the other hand, the organophosphate pesticide coumaphos was found in 100% of wax samples and in 64% of honey samples collected from Yucatan. The concentration of coumaphos in honey ranges from 0.005 to 0.040 mg/kg, which are below Maximum Residue Limit (MRL) allowed in the European Union (0.1 mg/kg) but 7.14% of samples exceeded the MRL allowed in Canada (0.02 mg/kg).

Boron and Coumaphos Residues in Hive Materials Following Treatments for the Control of Aethina tumida Murray

PubMed Central

Valdovinos-Flores, Cesar; Gaspar-Ramírez, Octavio; Heras–Ramírez, María Elena; Dorantes-Ugalde, José Antonio; Saldaña-Loza, Luz María

2016-01-01

In the search of alternatives for controlling Aethina tumida Murray, we recently proposed the BAA trap which uses boric acid and an attractant which mimics the process of fermentation caused by Kodamaea ohmeri in the hive. This yeast is excreted in the feces of A. tumida causing the fermentation of pollen and honey of infested hives and releasing compounds that function as aggregation pheromones to A. tumida. Since the boron is the toxic element in boric acid, the aim of this article is to assess the amount of boron residues in honey and beeswax from hives treated with the BAA trap. For this aim, the amount of bioaccumulated boron in products of untreated hives was first determined and then compared with the amount of boron of products from hives treated with the BAA trap in two distinct climatic and soil conditions. The study was conducted in the cities of Padilla, Tamaulipas, and Valladolid, Yucatan (Mexico) from August 2014 to March 2015. The quantity of boron in honey was significantly less in Yucatan than in Tamaulipas; this agrees with the boron deficiency among Luvisol and Leptosol soils found in Yucatan compared to the Vertisol soil found in Tamaulipas. In fact, the honey from Yucatan has lower boron levels than those reported in the literature. The BAA treatment was applied for four months, results show that the BAA trap does not have any residual effect in either honey or wax; i.e., there is no significant difference in boron content before and after treatment. On the other hand, the organophosphate pesticide coumaphos was found in 100% of wax samples and in 64% of honey samples collected from Yucatan. The concentration of coumaphos in honey ranges from 0.005 to 0.040 mg/kg, which are below Maximum Residue Limit (MRL) allowed in the European Union (0.1 mg/kg) but 7.14% of samples exceeded the MRL allowed in Canada (0.02 mg/kg). PMID:27092938

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.

The Anti-Inflammatory Activity of Boron Derivatives in Rodents

PubMed Central

Hall, Iris H.; Burnham, Bruce S.; Chen, Shang Y.; Sood, Anup; Spielvogel, Bernard F.; Morse, Karen W.

1995-01-01

Acyclic amine-carboxyboranes were effective anti-inflammatory agents in mice at 8 mg/kg x 2. These amine-carboxyboranes were more effective than the standard indomethacin at 8 mg/kg x 2, pentoxifylline at 50 mg/kg x 2, and phenylbutazone at 50 mg/kg x 2. The heterocyclic amine derivatives as well as amine-carbamoylboranes, carboalkoxyboranes, and cyanoboranes were generally less active. However, selected aminomethyl-phosphonate-N-cyanoboranes demonstrated greater than 60% reduction of induced inflammation. The boron compounds were also active in the rat induced edema, chronic arthritis, and pleurisy screens, demonstrating activity similar to the standard indomethacin. The compounds were effecive in reducing local pain and decreased the tail flick reflex to pain. The derivatives which demonstrated good anti-inflammatory activity were effective inhibitors of hydrolytic lysosomal, and proteolytic enzyme activities with IC50 50 values equal to -6M in mouse macrophages, human leukocytes, and Be Sal osteofibrolytic cells. In these same cell lines, the agents blocked prostaglandin cyclooxygenase activity with IC50 values of -6M. In mouse macrophage and human leukocytes, 5′ lipoxygenase activity was also inhibited by the boron derivatives with IC50 values of 10-6M. These IC50 values for inhibition of these enzyme activities are consistent with published values of known anti-inflammatory agents which target these enzymes. PMID:18472741

Immobilization of isolated FI catalyst on polyhedral oligomeric silsesquioxane-functionalized silica for the synthesis of weakly entangled polyethylene.

PubMed

Li, Wei; Yang, Huaqin; Zhang, Jingjing; Mu, Jingshan; Gong, Dirong; Wang, Xiaodong

2016-09-25

Polyhedral oligomeric silsesquioxanes (POSSs) were adsorbed on methylaluminoxane-activated silica for the immobilization of fluorinated bis(phenoxyimine)Ti complexes (FI catalyst). These POSSs have been characterized as horizontal spacers isolating the active sites and hindering the chain overlap in polymerization. The heterogeneous catalyst exhibits considerable activity in the synthesis of weakly entangled polyethylene.

Realistic Analytical Polyhedral MRI Phantoms

PubMed Central

Ngo, Tri M.; Fung, George S. K.; Han, Shuo; Chen, Min; Prince, Jerry L.; Tsui, Benjamin M. W.; McVeigh, Elliot R.; Herzka, Daniel A.

2015-01-01

Purpose Analytical phantoms have closed form Fourier transform expressions and are used to simulate MRI acquisitions. Existing 3D analytical phantoms are unable to accurately model shapes of biomedical interest. It is demonstrated that polyhedral analytical phantoms have closed form Fourier transform expressions and can accurately represent 3D biomedical shapes. Theory The derivations of the Fourier transform of a polygon and polyhedron are presented. Methods The Fourier transform of a polyhedron was implemented and its accuracy in representing faceted and smooth surfaces was characterized. Realistic anthropomorphic polyhedral brain and torso phantoms were constructed and their use in simulated 3D/2D MRI acquisitions was described. Results Using polyhedra, the Fourier transform of faceted shapes can be computed to within machine precision. Smooth surfaces can be approximated with increasing accuracy by increasing the number of facets in the polyhedron; the additional accumulated numerical imprecision of the Fourier transform of polyhedra with many faces remained small. Simulations of 3D/2D brain and 2D torso cine acquisitions produced realistic reconstructions free of high frequency edge aliasing as compared to equivalent voxelized/rasterized phantoms. Conclusion Analytical polyhedral phantoms are easy to construct and can accurately simulate shapes of biomedical interest. PMID:26479724

On 2- and 3-person games on polyhedral sets

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

Belenky, A.S.

1994-12-31

Special classes of 3 person games are considered where the sets of players` allowable strategies are polyhedral and the payoff functions are defined as maxima, on a polyhedral set, of certain kind of sums of linear and bilinear functions. Necessary and sufficient conditions, which are easy to verify, for a Nash point in these games are established, and a finite method, based on these conditions, for calculating Nash points is proposed. It is shown that the game serves as a generalization of a model for a problem of waste products evacuation from a territory. The method makes it possible tomore » reduce calculation of a Nash point to solving some linear and quadratic programming problems formulated on the basis of the original 3-person game. A class of 2-person games on connected polyhedral sets is considered, with the payoff function being a sum of two linear functions and one bilinear function. Necessary and sufficient conditions are established for the min-max, the max-min, and for a certain equilibrium. It is shown that the corresponding points can be calculated from auxiliary linear programming problems formulated on the basis of the master game.« less

Interactions of "bora-penicilloates" with serine β-lactamases and DD-peptidases.

PubMed

Dzhekieva, Liudmila; Adediran, S A; Pratt, R F

2014-10-21

Specific boronic acids are generally powerful tetrahedral intermediate/transition state analogue inhibitors of serine amidohydrolases. This group of enzymes includes bacterial β-lactamases and DD-peptidases where there has been considerable development of boronic acid inhibitors. This paper describes the synthesis, determination of the inhibitory activity, and analysis of the results from two α-(2-thiazolidinyl) boronic acids that are closer analogues of particular tetrahedral intermediates involved in β-lactamase and DD-peptidase catalysis than those previously described. One of them, 2-[1-(dihydroxyboranyl)(2-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, is a direct analogue of the deacylation tetrahedral intermediates of these enzymes. These compounds are micromolar inhibitors of class C β-lactamases but, very unexpectedly, not inhibitors of class A β-lactamases. We rationalize the latter result on the basis of a new mechanism of boronic acid inhibition of the class A enzymes. A stable inhibitory complex is not accessible because of the instability of an intermediate on its pathway of formation. The new boronic acids also do not inhibit bacterial DD-peptidases (penicillin-binding proteins). This result strongly supports a central feature of a previously proposed mechanism of action of β-lactam antibiotics, where deacylation of β-lactam-derived acyl-enzymes is not possible because of unfavorable steric interactions.

Explosively driven low-density foams and powders

DOEpatents

Viecelli, James A [Orinda, CA; Wood, Lowell L [Simi Valley, CA; Ishikawa, Muriel Y [Livermore, CA; Nuckolls, John H [Danville, CA; Pagoria, Phillip F [Livermore, CA

2010-05-04

Hollow RX-08HD cylindrical charges were loaded with boron and PTFE, in the form of low-bulk density powders or powders dispersed in a rigid foam matrix. Each charge was initiated by a Comp B booster at one end, producing a detonation wave propagating down the length of the cylinder, crushing the foam or bulk powder and collapsing the void spaces. The PdV work done in crushing the material heated it to high temperatures, expelling it in a high velocity fluid jet. In the case of boron particles supported in foam, framing camera photos, temperature measurements, and aluminum witness plates suggest that the boron was completely vaporized by the crush wave and that the boron vapor turbulently mixed with and burned in the surrounding air. In the case of PTFE powder, X-ray photoelectron spectroscopy of residues recovered from fragments of a granite target slab suggest that heating was sufficient to dissociate the PTFE to carbon vapor and molecular fluorine which reacted with the quartz and aluminum silicates in the granite to form aluminum oxide and mineral fluoride compounds.

Precision and Accuracy of Analysis for Boron in ITP Samples

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

Tovo, L.L.

'Inductively Coupled Plasma Emission Spectroscopy (ICPES) has been used by the Analytical Development Section (ADS) to measure boron in catalytic tetraphenylboron decomposition studies performed by the Waste Processing Technology (WPT) section. Analysis of these samples is complicated due to the presence of high concentrations of sodium and organic compounds. Previously, we found signal suppression in samples analyzed "as received". We suspected that the suppression was due to the high organic concentration (up to 0.01 molar organic decomposition products) in the samples. When the samples were acid digested prior to analysis, the suppression was eliminated. The precision of the reported boronmore » concentration was estimated as 10 percent based on the known precision of the inorganic boron standard used for calibration and quality control check of the ICPES analysis. However, a precision better than 10 percent was needed to evaluate ITP process operating parameters. Therefore, the purpose of this work was (1) to measure, instead of estimating, the precision of the boron measurement on ITP samples and (2) to determine the optimum precision attainable with current instrumentation.'« less

Aqueous cutting fluid for machining fissionable materials

DOEpatents

Duerksen, Walter K.; Googin, John M.; Napier, Jr., Bradley

1984-01-01

The present invention is directed to a cutting fluid for machining fissionable material. The cutting fluid is formed of glycol, water and boron compound in an adequate concentration for effective neutron attenuation so as to inhibit criticality incidents during machining.

Effect of boron on fruit quality in pineapple

NASA Astrophysics Data System (ADS)

Wei, Changbin; Ma, Zhiling; Liu, Yuge; Qiao, Jian; Sun, Guangming

2018-04-01

Boron (B) is an important element for the plant. The aim of work was to study the effect of B on fruit quality of pineapple. The experiment was carried out with `Comte de paris' variety in pots. The results demonstrated that B had positive effect on fruit weight, TSS, the ratio of TSS/acidity, Vitamin C, the content of aroma volatile compounds. The B had no effect on the content of the three sugars (sucrose, fructose and glucose) and titrable acidity. There was a positive effect on fruit quality by application of B fertilizer in production of pineapple.

Carbon or boron modified titanium silicide

DOEpatents

Thom, A.J.; Akinc, M.

1998-07-14

A titanium silicide material based on Ti{sub 5}Si{sub 3} intermetallic compound exhibits substantially improved oxidative stability at elevated temperatures. In particular, carbon is added to a Ti{sub 5}Si{sub 3} base material in an amount (e.g. about 0.3 to about 3.6 weight % C) effective to impart substantially improved oxidative stability at elevated temperatures, such as about 1000 C. Boron is added to a Ti{sub 5}Si{sub 3} base material in an amount (e.g. about 0.3 to about 3.3 weight % B) to this same end. 3 figs.

Carbon or boron modified titanium silicide

DOEpatents

Thom, A.J.; Akinc, M.

1997-12-02

A titanium silicide material based on Ti{sub 5}Si{sub 3} intermetallic compound exhibits substantially improved oxidative stability at elevated temperatures. In particular, carbon is added to a Ti{sub 5}Si{sub 3} base material in an amount (e.g. about 0.3 to about 3.6 weight % C) effective to impart substantially improved oxidative stability at elevated temperatures, such as about 1000 C. Boron is added to a Ti{sub 5}Si{sub 3} base material in an amount (e.g. about 0.3 to about 3.3 weight % B) to this same end. 3 figs.

Carbon or boron modified titanium silicide

DOEpatents

Thom, Andrew J.; Akinc, Mufit

1996-12-03

A titanium silicide material based on Ti.sub.5 Si.sub.3 intermetallic compound exhibits substantially improved oxidative stability at elevated temperatures. In particular, carbon is added to a Ti.sub.5 Si.sub.3 base material in an amount (e.g. about 0.3 to about 3.6 weight % C) effective to impart substantially improved oxidative stability at elevated temperatures, such as about 1000.degree. C. Boron is added to a Ti.sub.5 Si.sub.3 base material in an amount (e.g. about 0.3 to about 3.3 weight % B) to this same end.

Carbon or boron modified titanium silicide

DOEpatents

Thom, Andrew J.; Akinc, Mufit

1997-12-02

A titanium silicide material based on Ti.sub.5 Si.sub.3 intermetallic compound exhibits substantially improved oxidative stability at elevated temperatures. In particular, carbon is added to a Ti.sub.5 Si.sub.3 base material in an amount (e.g. about 0.3 to about 3.6 weight % C) effective to impart substantially improved oxidative stability at elevated temperatures, such as about 1000.degree. C. Boron is added to a Ti.sub.5 Si.sub.3 base material in an amount (e.g. about 0.3 to about 3.3 weight % B) to this same end.

Carbon or boron modified titanium silicide

DOEpatents

Thom, A.J.; Akinc, M.

1996-12-03

A titanium silicide material based on Ti{sub 5}Si{sub 3} intermetallic compound exhibits substantially improved oxidative stability at elevated temperatures. In particular, carbon is added to a Ti{sub 5}Si{sub 3} base material in an amount (e.g. about 0.3 to about 3.6 weight % C) effective to impart substantially improved oxidative stability at elevated temperatures, such as about 1000 C. Boron is added to a Ti{sub 5}Si{sub 3} base material in an amount (e.g. about 0.3 to about 3.3 weight % B) to this same end. 3 figs.

Carbon or boron modified titanium silicide

DOEpatents

Thom, Andrew J.; Akinc, Mufit

1998-07-14

A titanium silicide material based on Ti.sub.5 Si.sub.3 intermetallic compound exhibits substantially improved oxidative stability at elevated temperatures. In particular, carbon is added to a Ti.sub.5 Si.sub.3 base material in an amount (e.g. about 0.3 to about 3.6 weight % C) effective to impart substantially improved oxidative stability at elevated temperatures, such as about 1000.degree. C. Boron is added to a Ti.sub.5 Si.sub.3 base material in an amount (e.g. about 0.3 to about 3.3 weight % B) to this same end.

Efficient synthesis, structural characterization and anti-microbial activity of chiral aryl boronate esters of 1,2-O-isopropylidene-α-D-xylofuranose.

PubMed

Trivedi, Rajiv; Rami Reddy, E; Kiran Kumar, Ch; Sridhar, B; Pranay Kumar, K; Srinivasa Rao, M

2011-07-01

A simple and efficient synthetic approach toward a series of chiral aryl boronate esters, starting from D-xylose, as anti-microbial agents, is described herein. Minimum inhibitory concentration and zone of inhibition revealed that these derivatives exhibit potent anti-bacterial and anti-fungal properties. Herein, we report the first anti-microbial activity of this class of compounds. All products have been characterized by NMR ((1)H, (13)C and (11)B), IR, elemental and mass spectral study. Copyright © 2011 Elsevier Ltd. All rights reserved.

Liposome-based delivery of a boron-containing cholesteryl ester for high-LET particle-induced damage of prostate cancer cells: a boron neutron capture therapy study.

PubMed

Gifford, Ian; Vreeland, Wyatt; Grdanovska, Slavica; Burgett, Eric; Kalinich, John; Vergara, Vernieda; Wang, C-K Chris; Maimon, Eric; Poster, Dianne; Al-Sheikhly, Mohamad

2014-06-01

The efficacy of a boron-containing cholesteryl ester compound (BCH) as a boron neutron capture therapy (BNCT) agent for the targeted irradiation of PC-3 human prostate cancer cells was examined. Liposome-based delivery of BCH was quantified with inductively coupled plasma-mass spectrometry (ICP-MS) and high-performance liquid chromatography (HPLC). Cytotoxicity of the BCH-containing liposomes was evaluated with neutral red, 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium (MTS), and lactate dehydrogenase assays. Colony formation assays were utilized to evaluate the decrease in cell survival due to high-linear energy transfer (LET) particles resulting from (10)B thermal neutron capture. BCH delivery by means of encapsulation in a lipid bilayer resulted in a boron uptake of 35.2 ± 4.3 μg/10(9) cells, with minimal cytotoxic effects. PC-3 cells treated with BCH and exposed to a 9.4 × 10(11) n/cm(2) thermal neutron fluence yielded a 20-25% decrease in clonogenic capacity. The decreased survival is attributed to the generation of high-LET α particles and (7)Li nuclei that deposit energy in densely ionizing radiation tracks. Liposome-based delivery of BCH is capable of introducing sufficient boron to PC-3 cells for BNCT. High-LET α particles and (7)Li nuclei generated from (10)B thermal neutron capture significantly decrease colony formation ability in the targeted PC-3 cells.

The use of metalorganics in the preparation of semiconductor materials

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

Manasevit, H.M.; Hewitt, W.B.; Nelson, A.J.

1989-10-01

The authors describe boron-arsenic and boron-phosphorus films grown on Si, sapphire, and silicon-on-sapphire (SOS) by pyrolyzing Group III alkyls of boron, i.e., trimethylborane (TMB) and triethylborane (TEB) in the presence of AsH/sub 3/ and PH/sub 3/, respectively, in a H/sub 2/ atmosphere. No evidence for reaction between the alkyls and the hydrides on mixing at room temperature was found. The films were predominantly amorphous. The film growth rate was found to depend on the concentration of alkyl boron compound and was essentially constant when TEB and AsH/sub 3/ were pyrolyzed over the temperature range of 550{sup 0}-900{sup 0}C. The filmsmore » were found to contain mainly carbon impurities (the amount varying with growth temperature), some oxygen, and were highly stressed and bowed on Si substrates, with some crazing evident in thin (2 {mu}m) B-P and thick (5 {mu}m) B-As films. The carbon level was generally higher in films grown using TEB as the boron source. Films grown from PH/sub 3/ and TMB showed a higher carbon content than those grown from AsH/sub 3/ and TMB. Based on their B/As and B/P ratios, films with nominal compositions B/sub 12-16/As/sub 2/P and B/sub 1.1-1.3/P were grown using TMB as the boron source.« less

Evaluation of a novel sodium borocaptate-containing unnatural amino acid as a boron delivery agent for neutron capture therapy of the F98 rat glioma.

PubMed

Futamura, Gen; Kawabata, Shinji; Nonoguchi, Naosuke; Hiramatsu, Ryo; Toho, Taichiro; Tanaka, Hiroki; Masunaga, Shin-Ichiro; Hattori, Yoshihide; Kirihata, Mitsunori; Ono, Koji; Kuroiwa, Toshihiko; Miyatake, Shin-Ichi

2017-01-23

Boron neutron capture therapy (BNCT) is a unique particle radiation therapy based on the nuclear capture reactions in boron-10. We developed a novel boron-10 containing sodium borocaptate (BSH) derivative, 1-amino-3-fluorocyclobutane-1-carboxylic acid (ACBC)-BSH. ACBC is a tumor selective synthetic amino acid. The purpose of this study was to assess the biodistribution of ACBC-BSH and its therapeutic efficacy following Boron Neutron Capture Therapy (BNCT) of the F98 rat glioma. We evaluated the biodistribution of three boron-10 compounds, ACBC-BSH, BSH and boronophenylalanine (BPA), in vitro and in vivo, following intravenous (i.v.) administration and intratumoral (i.t.) convection-enhanced delivery (CED) in F98 rat glioma bearing rats. For BNCT studies, rats were stratified into five groups: untreated controls, neutron-irradiation controls, BNCT with BPA/i.v., BNCT with ACBC-BSH/CED, and BNCT concomitantly using BPA/i.v. and ACBC-BSH/CED. In vitro, ACBC-BSH attained higher cellular uptake F98 rat glioma cells compared with BSH. In vivo biodistribution studies following i.v. administration and i.t. CED of ACBC-BSH attained significantly higher boron concentrations than that of BSH, but much lower than that of BPA. However, following convection enhanced delivery (CED), ACBC-BSH attained significantly higher tumor concentrations than BPA. The i.t. boron-10 concentrations were almost equal between the ACBC-BSH/CED group and BPA/i.v. group of rats. The tumor/brain boron-10 concentration ratio was higher with ACBC-BSH/CED than that of BPA/i.v. group. Based on these data, BNCT studies were carried out in F98 glioma bearing rats using BPA/i.v. and ACBC-BSH/CED as the delivery agents. The corresponding mean survival times were 37.4 ± 2.6d and 44.3 ± 8.0d, respectively, and although modest, these differences were statistically significant. Our findings suggest that further studies are warranted to evaluate ACBC-BSH/CED as a boron delivery agent.

Conversion of radioactive ferrocyanide compounds to immobile glasses

DOEpatents

Schulz, Wallace W.; Dressen, A. Louise

1977-04-26

Complex radioactive ferrocyanide compounds result from the scavenging of cesium from waste products produced in the chemical reprocessing of nuclear fuel. These ferrocyanides, in accordance with this process, are converted to an immobile glass, resistant to leaching by water, by fusion together with sodium carbonate and a mixture of (a) basalt and boron trioxide (B.sub.2 O.sub.3) or (b) silica (SiO.sub.2) and lime (CaO).

X-ray photoemission spectroscopy of nonmetallic materials: Electronic structures of boron and BxOy

NASA Astrophysics Data System (ADS)

Ong, C. W.; Huang, H.; Zheng, B.; Kwok, R. W. M.; Hui, Y. Y.; Lau, W. M.

2004-04-01

Although an increasing volume of x-ray photoemission spectroscopic (XPS) data has been accumulated on boron and boron-rich compounds because of their unusual properties, including a unique three-center, two-electron bonding configuration, their common nonmetallic nature has been overlooked. Typically, the measured energy-state data are not clarified by surface Fermi level positions of these nonmetallic samples, which compromises the scientific contents of the data. In the present study, we revisited the XPS studies of sputter-cleaned β-rhombohedral boron (βr-B), the oxidized surface of βr-B, B6O pellet, and polished B2O3, to illustrate the impact and resolution of this scientific issue. These samples were chosen because βr-B is the most thermodynamically stable polytype of pure boron, B2O3 is its fully oxidized form, and B6O is the best known superhard family member of boron-rich compounds. From our XPS measurements, including those from a sputter-cleaned gold as a metal reference, we deduced that our βr-B had a surface Fermi level located at 0.7±0.1 eV from its valence-band maximum (VBM) (referred as EFL) and a binding energy for its B 1s core level at 187.2 eV from VBM (Eb,VBM). The latter attribute, unlike typical XPS binding energy data that are referenced to a sample-dependent Fermi level (Eb,FL), is immune from any uncertainties and variations arising from sample doping and surface charging. For bulk B2O3, we found an Eb,VBM for its B 1s core level at 190.5 eV and an Eb,FL at 193.6 eV. For our βr-B subjected to a surface oxidation treatment, an overlayer structure of ˜1.2 nm B2O3/˜2 nm B2O/B was found. By comparing the data from this sample and those from βr-B and bulk B2O3, we infer that the oxide overlayer carried some negative fixed charge and this induced on the semiconducting βr-B sample an upward surface band bending of ˜0.6 eV. As for our B6O sample, we found an EFL of ˜1.7 eV and two different chemical states having Eb,VBM of 185.4 and 187.2 eV, with the former belonging to boron with no oxygen neighbor and the latter to boron with an oxygen neighbor. The methodology in this work is universally applicable to all nonmetallic samples.

Hybrid polymer networks as ultra low `k` dielectric layers

DOEpatents

Lewicki, James; Worsley, Marcus A.

2016-02-16

According to one embodiment, a polymeric material includes at least one polydimethylsiloxane (PDMS) polymer, and at least one polyhedral oligomericsilsequioxane (POSS) molecule. According to another embodiment, a method includes providing at least one polydimethylsiloxane (PDMS) polymer, providing at least one polyhedral oligomericsilsequioxane (POSS) molecule, and coupling the at least one PDSM polymer to the at least one POSS molecule to form a hybrid polymeric material.

Updates to Simulation of a Single-Element Lean-Direct Injection Combustor Using a Polyhedral Mesh Derived From Hanging-Node Elements

NASA Technical Reports Server (NTRS)

Wey, Changju Thomas; Liu, Nan-Suey

2014-01-01

This paper summarizes the procedures of inserting a thin-layer mesh to existing inviscid polyhedral mesh either with or without hanging-node elements as well as presents sample results from its applications to the numerical solution of a single-element LDI combustor using a releasable edition of the National Combustion Code (NCC).

Updates to Simulation of a Single-Element Lean-Direct Injection Combustor Using a Polyhedral Mesh Derived from Hanging-Node Elements

NASA Technical Reports Server (NTRS)

Wey, Thomas; Liu, Nan-Suey

2014-01-01

This paper summarizes the procedures of inserting a thin-layer mesh to existing inviscid polyhedral mesh either with or without hanging-node elements as well as presents sample results from its applications to the numerical solution of a single-element LDI combustor using a releasable edition of the National Combustion Code (NCC).

Polyhedral realizations of crystal bases for quantum algebras of classical affine types

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

Hoshino, A.

2013-05-15

We give the explicit forms of the crystal bases B({infinity}) for the quantum affine algebras of types A{sub 2n-1}{sup (2)}, A{sub 2n}{sup (2)}, B{sub n}{sup (1)}, C{sub n}{sup (1)}, D{sub n}{sup (1)}, and D{sub n+1}{sup (2)} by using the method of polyhedral realizations of crystal bases.

Optical properties of boron-group (V) hexagonal nanowires: DFT investigation

NASA Astrophysics Data System (ADS)

Santhibhushan, B.; Soni, Mahesh; Srivastava, Anurag

2017-07-01

The paper presents structural, electronic and optical properties of boron-group V hexagonal nanowires (h-NW) within the framework of density functional theory. The h-NW of boron-group V compounds with an analogous diameter of 12 Å have been designed in (1 1 1) plane. Stability analysis performed through formation energies reveal that, the stability of these structures decreases with increasing atomic number of the group V element. The band nature predicts that these nanowires are good electrical conductors. Optical behaviour of the nanowires has been analysed through absorption coefficient, reflectivity, refractive index, optical conductivity and electron energy loss spectrum (EELS), that are computed from the frequency-dependent complex dielectric function. The analysis reveals high reactivity of BP and BAs h-NWs to the incident light especially in the IR and visible ranges, and the optical transparency of BN h-NW in the visible and UV ranges.

Structural analysis of pyridine-imino boronic esters involving secondary interactions on solid state

NASA Astrophysics Data System (ADS)

Sánchez-Portillo, Paola; Arenaza-Corona, Antonino; Hernández-Ahuactzi, Irán F.; Barba, Victor

2017-04-01

Twelve boronic esters (1a-1l) synthesized from 4-halo- substituted arylboronic acids (halo = F, Cl, Br, I and CF3) with 2-amino-2- alkyl (H, Me) -1,3-propanediol in presence of (3- or 4)-pyridine carboxaldehyde are described. A solvent mixture toluene/methanol 1:4 ratio was used. All compounds include both donor/acceptor functional groups, which are the necessary elements to self-assembly of the molecular species. Several secondary interactions as I⋯N, Br⋯Br, Br⋯B, F⋯B, Csbnd H⋯N, Csbnd H⋯O, Br⋯π and Csbnd H⋯π support the 1D and 2D polymeric frameworks in solid state. The coordination of the nitrogen atom from the pyridine moiety with the boron atom was not observed in either solution or solid state.

Thermodynamical and thermoelectric properties of boron doped YPd{sub 3} and YRh{sub 3}

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

Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com; Sharma, Ramesh

2016-05-23

The structural, electronic, thermal, and optical properties of borides of cubic non-magnetic YX{sub 3} (X=Rh, Pd) compounds and their borides which crystallize in the AuCu{sub 3} structure have been studied using the density functional theory (DFT). The flat bands in the vicinity of E{sub F} which are associated with superconductivity appear in YPd{sub 3} and YRh{sub 3} band structures. However, the B s-states enhance the flat band only in YRh{sub 3}B. The optical properties clearly show that boron insertion modifies the absorption and transmittance. The YX{sub 3} alloys and their borides exhibit valuable changes in the thermopower and ZT. Itmore » is observed that the properties of the Y-X intermetallics change significantly for the Y-Rh and Y-Pd alloys and the presence of single boron atom modifies the properties to a great extent.« less

Pharmacokinetics of Chlorin e6-Cobalt Bis(Dicarbollide) Conjugate in Balb/c Mice with Engrafted Carcinoma

PubMed Central

Volovetsky, Arthur B.; Balalaeva, Irina V.; Dudenkova, Varvara V.; Shilyagina, Natalia Yu.; Feofanov, Аlexey V.; Efremenko, Anastasija V.; Grin, Mikhail A.; Mironov, Andrey F.; Bregadze, Vladimir I.; Maslennikova, Anna V.

2017-01-01

The necessary precondition for efficient boron neutron capture therapy (BNCT) is control over the content of isotope 10B in the tumor and normal tissues. In the case of boron-containing porphyrins, the fluorescent part of molecule can be used for quantitative assessment of the boron content. Study Objective: We performed a study of the biodistribution of the chlorin e6-Cobalt bis(dicarbollide) conjugate in carcinoma-bearing Balb/c mice using ex vivo fluorescence imaging, and developed a mathematical model describing boron accumulation and release based on the obtained experimental data. Materials and Methods: The study was performed on Balb/c tumor-bearing mice (CT-26 tumor model). A solution of the chlorin e6-Cobalt bis(dicarbollide) conjugate (CCDC) was injected into the blood at a dose of 10 mg/kg of the animal’s weight. Analysis of the fluorescence signal intensity was performed at several time points by spectrofluorimetry in blood and by laser scanning microscopy in muscle, liver, and tumor tissues. The boron content in the same samples was determined by mass spectroscopy with inductively coupled plasma. Results: Analysis of a linear approximation between the fluorescence intensity and boron content in the tissues demonstrated a satisfactory value of approximation reliability with a Spearman’s rank correlation coefficient of r = 0.938, p < 0.01. The dynamics of the boron concentration change in various organs, calculated on the basis of the fluorescence intensity, enabled the development of a model describing the accumulation of the studied compound and its distribution in tissues. The obtained results reveal a high level of correspondence between the model and experimental data. PMID:29182594

Pharmacokinetics of Chlorin e₆-Cobalt Bis(Dicarbollide) Conjugate in Balb/c Mice with Engrafted Carcinoma.

PubMed

Volovetsky, Arthur B; Sukhov, Vladimir S; Balalaeva, Irina V; Dudenkova, Varvara V; Shilyagina, Natalia Yu; Feofanov, Аlexey V; Efremenko, Anastasija V; Grin, Mikhail A; Mironov, Andrey F; Sivaev, Igor B; Bregadze, Vladimir I; Maslennikova, Anna V

2017-11-28

The necessary precondition for efficient boron neutron capture therapy (BNCT) is control over the content of isotope 10 B in the tumor and normal tissues. In the case of boron-containing porphyrins, the fluorescent part of molecule can be used for quantitative assessment of the boron content. Study Objective: We performed a study of the biodistribution of the chlorin e ₆-Cobalt bis(dicarbollide) conjugate in carcinoma-bearing Balb/c mice using ex vivo fluorescence imaging, and developed a mathematical model describing boron accumulation and release based on the obtained experimental data. Materials and Methods: The study was performed on Balb/c tumor-bearing mice (CT-26 tumor model). A solution of the chlorin e ₆-Cobalt bis(dicarbollide) conjugate (CCDC) was injected into the blood at a dose of 10 mg/kg of the animal's weight. Analysis of the fluorescence signal intensity was performed at several time points by spectrofluorimetry in blood and by laser scanning microscopy in muscle, liver, and tumor tissues. The boron content in the same samples was determined by mass spectroscopy with inductively coupled plasma. Results: Analysis of a linear approximation between the fluorescence intensity and boron content in the tissues demonstrated a satisfactory value of approximation reliability with a Spearman's rank correlation coefficient of r = 0.938, p < 0.01. The dynamics of the boron concentration change in various organs, calculated on the basis of the fluorescence intensity, enabled the development of a model describing the accumulation of the studied compound and its distribution in tissues. The obtained results reveal a high level of correspondence between the model and experimental data.

Dry etching method for compound semiconductors

DOEpatents

Shul, Randy J.; Constantine, Christopher

1997-01-01

A dry etching method. According to the present invention, a gaseous plasma comprising, at least in part, boron trichloride, methane, and hydrogen may be used for dry etching of a compound semiconductor material containing layers including aluminum, or indium, or both. Material layers of a compound semiconductor alloy such as AlGaInP or the like may be anisotropically etched for forming electronic devices including field-effect transistors and heterojunction bipolar transistors and for forming photonic devices including vertical-cavity surface-emitting lasers, edge-emitting lasers, and reflectance modulators.

Dry etching method for compound semiconductors

DOEpatents

Shul, R.J.; Constantine, C.

1997-04-29

A dry etching method is disclosed. According to the present invention, a gaseous plasma comprising, at least in part, boron trichloride, methane, and hydrogen may be used for dry etching of a compound semiconductor material containing layers including aluminum, or indium, or both. Material layers of a compound semiconductor alloy such as AlGaInP or the like may be anisotropically etched for forming electronic devices including field-effect transistors and heterojunction bipolar transistors and for forming photonic devices including vertical-cavity surface-emitting lasers, edge-emitting lasers, and reflectance modulators. 1 fig.

Blood-brain barrier (BBB) toxicity and permeability assessment after L-(4-¹⁰Boronophenyl)alanine, a conventional B-containing drug for boron neutron capture therapy, using an in vitro BBB model.

PubMed

Roda, E; Nion, S; Bernocchi, G; Coccini, T

2014-10-02

Since brain tumours are the primary candidates for treatment by Boron Neutron Capture Therapy, one major challenge in the selective drug delivery to CNS is the crossing of the blood-brain barrier (BBB). The present pilot study investigated (i) the transport of a conventional B-containing product (i.e., L-(4-(10)Boronophenyl)alanine, L-(10)BPA), already used in medicine but still not fully characterized regarding its CNS interactions, as well as (ii) the effects of the L-(10)BPA on the BBB integrity using an in vitro model, consisting of brain capillary endothelial cells co-cultured with glial cells, closely mimicking the in vivo conditions. The multi-step experimental strategy (i.e. Integrity test, Filter study, Transport assay) checked L-(10)BPA toxicity at 80 µg Boron equivalent/ml, and its ability to cross the BBB, additionally by characterizing the cytoskeletal and TJ's proteins by immunocytochemistry and immunoblotting. In conclusion, a lack of toxic effects of L-(10)BPA was demonstrated, nevertheless accompanied by cellular stress phenomena (e.g. vimentin expression modification), paralleled by a low permeability coefficient (0.39 ± 0.01 × 10(-3)cm min(-1)), corroborating the scarce probability that L-(10)BPA would reach therapeutically effective cerebral concentration. These findings emphasized the need for novel strategies aimed at optimizing boron delivery to brain tumours, trying to ameliorate the compound uptake or developing new targeted products suitable to safely and effectively treat head cancer. Thus, the use of in vitro BBB model for screening studies may provide a useful early safety assessment for new effective compounds. Copyright © 2014 Elsevier B.V. All rights reserved.

Decompositions of the polyhedral product functor with applications to moment-angle complexes and related spaces

PubMed Central

Bahri, A.; Bendersky, M.; Cohen, F. R.; Gitler, S.

2009-01-01

This article gives a natural decomposition of the suspension of a generalized moment-angle complex or partial product space which arises as the polyhedral product functor described below. The introduction and application of the smash product moment-angle complex provides a precise identification of the stable homotopy type of the values of the polyhedral product functor. One direct consequence is an analysis of the associated cohomology. For the special case of the complements of certain subspace arrangements, the geometrical decomposition implies the homological decomposition in earlier work of others as described below. Because the splitting is geometric, an analogous homological decomposition for a generalized moment-angle complex applies for any homology theory. Implied, therefore, is a decomposition for the Stanley–Reisner ring of a finite simplicial complex, and natural generalizations. PMID:19620727

Decompositions of the polyhedral product functor with applications to moment-angle complexes and related spaces.

PubMed

Bahri, A; Bendersky, M; Cohen, F R; Gitler, S

2009-07-28

This article gives a natural decomposition of the suspension of a generalized moment-angle complex or partial product space which arises as the polyhedral product functor described below. The introduction and application of the smash product moment-angle complex provides a precise identification of the stable homotopy type of the values of the polyhedral product functor. One direct consequence is an analysis of the associated cohomology. For the special case of the complements of certain subspace arrangements, the geometrical decomposition implies the homological decomposition in earlier work of others as described below. Because the splitting is geometric, an analogous homological decomposition for a generalized moment-angle complex applies for any homology theory. Implied, therefore, is a decomposition for the Stanley-Reisner ring of a finite simplicial complex, and natural generalizations.

Aqueous synthesis of polyhedral “brick-like” iron oxide nanoparticles for hyperthermia and T2 MRI contrast enhancement†

PubMed Central

Worden, Matthew; Bruckman, Michael A.; Kim, Min-Ho; Steinmetz, Nicole F.; Kikkawa, James M.; LaSpina, Catherine

2015-01-01

A low temperature, aqueous synthesis of polyhedral iron oxide nanoparticles (IONPs) is presented. The modification of the co-precipitation hydrolysis method with Triton X surfactants results in the formation of crystalline polyhedral particles. The particles are herein termed iron oxide “nanobricks” (IONBs) as the variety of particles made are all variations on a simple “brick-like” rhombohedral shape as evaluated by TEM. These IONBs can be easily coated with hydrophilic silane ligands, allowing them to be dispersed in aqueous media. The dispersed particles are investigated for potential applications as hyperthermia and T2 MRI contrast agents. The results demonstrate that the IONBs perform better than comparable spherical IONPs in both applications, and show r2 values amongst the highest for iron oxide based materials reported in the literature. PMID:26693011

A Comparative Theoretical and Computational Study on Robust Counterpart Optimization: I. Robust Linear Optimization and Robust Mixed Integer Linear Optimization

PubMed Central

Li, Zukui; Ding, Ran; Floudas, Christodoulos A.

2011-01-01

Robust counterpart optimization techniques for linear optimization and mixed integer linear optimization problems are studied in this paper. Different uncertainty sets, including those studied in literature (i.e., interval set; combined interval and ellipsoidal set; combined interval and polyhedral set) and new ones (i.e., adjustable box; pure ellipsoidal; pure polyhedral; combined interval, ellipsoidal, and polyhedral set) are studied in this work and their geometric relationship is discussed. For uncertainty in the left hand side, right hand side, and objective function of the optimization problems, robust counterpart optimization formulations induced by those different uncertainty sets are derived. Numerical studies are performed to compare the solutions of the robust counterpart optimization models and applications in refinery production planning and batch process scheduling problem are presented. PMID:21935263

New functionalized mercaptoundecahydrododecaborate derivatives for potential application in boron neutron capture therapy: synthesis, characterization and dynamic visualization in cells.

PubMed

Genady, Afaf R; Ioppolo, Joseph A; Azaam, Mohamed M; El-Zaria, Mohamed E

2015-03-26

A series of mercaptoundecahydrododecaborate (B12H11SH(2-), BSH) bearing mono- and dicarboxyalkyl derivatives was prepared, characterized, and their reactivity towards amidation and esterification in DMF was evaluated. Symmetrical alkylation of BSH was achieved by treatment with primary haloalkyl carboxylic acids in aqueous acetonitrile to produce S,S-bis(carboxyalkyl)sulfonium-undecahydro-closo-dodecaborate tetramethylammonium salts. Unsymmetrically substituted sulfonium salts were obtained through a similar treatment of cyanoethylthioether-undecahydro-closo-dodecaborate tetramethylammonium salt with haloalkyl carboxylic acid. Selective removal of the remaining cyanoethyl group upon treatment with tetramethylammonium hydroxide yielded S-carboxyalkyl-thioether-undecahydro-closo-dodecaborate ditetramethylammonium salts. N,N'-dicyclohexylcarbodiimide (DCC) activated amidation of S,S-bis(carboxyalkyl)sulfonium-undecahydro-closo-dodecaborate or S-carboxyalkyl-thioether-undecahydro-closo-dodecaborate tetramethylammonium salts with propargylamine provided the opportunity to install terminal acetylene groups for further conjugation. These compounds acted as powerful building blocks for the synthesis of a broad range of 1,4-disubstituted 1,2,3-triazole products in high yields, utilizing the Cu(I)-mediated click cycloaddition reaction. The synthesis of BSH-lipid with a two-tailed moiety was also achieved, by esterification of S,S-bis(carboxyethyl)sulfoniumundecahydro-closo-dodecaborate(1-) tetramethylammonium salt with 1,2-O-distearoyl-sn-3-glycerol, which may prove useful in the liposomal boron delivery system. The bio-compatibility of the azide-alkyne click reaction was then utilized by performing this reaction in cell culture. The distribution of BSH in HeLa cells could be visualized by treating the cells first with a BSH-alkyne compound and then with Alexa Fluor 488(®) azide dye. The BSH-dye conjugate, which did not wash out, revealed the distribution of boron in the HeLa cells. Cytotoxicity assays of these BSH derivatives revealed that the synthesized BSH-conjugated triazoles possessed low cytotoxicity in HeLa cancer cells. Of these compounds, BSH conjugated triazole 15 induced a significant increase in the level of boron accumulation in HeLa cells. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Strain Gradient Solution for the Eshelby-Type Polyhedral Inclusion Problem

DTIC Science & Technology

2012-01-01

2011 Available online 6 November 2011 Keywords: Eshelby tensor Polyhedral inclusion Size effect Eigenstrain Strain gradient a b s t r a c t The Eshelby...material containing an ellipsoidal inclusion prescribed with a uniform eigenstrain is a milestone in micromechanics. The solution for the dynamic Eshelby...strain to the prescribed uniform eigenstrain , is constant inside the inclusion. However, this property is true only for ellipsoidal inclusions (and when

Production method for making rare earth compounds

DOEpatents

McCallum, R.W.; Ellis, T.W.; Dennis, K.W.; Hofer, R.J.; Branagan, D.J.

1997-11-25

A method of making a rare earth compound, such as a earth-transition metal permanent magnet compound, without the need for producing rare earth metal as a process step, comprises carbothermically reacting a rare earth oxide to form a rare earth carbide and heating the rare earth carbide, a compound-forming reactant (e.g., a transition metal and optional boron), and a carbide-forming element (e.g., a refractory metal) that forms a carbide that is more thermodynamically favorable than the rare earth carbide whereby the rare earth compound (e.g., Nd{sub 2}Fe{sub 14}B or LaNi{sub 5}) and a carbide of the carbide-forming element are formed.

Production method for making rare earth compounds

DOEpatents

McCallum, R. William; Ellis, Timothy W.; Dennis, Kevin W.; Hofer, Robert J.; Branagan, Daniel J.

1997-11-25

A method of making a rare earth compound, such as a earth-transition metal permanent magnet compound, without the need for producing rare earth metal as a process step, comprises carbothermically reacting a rare earth oxide to form a rare earth carbide and heating the rare earth carbide, a compound-forming reactant (e.g. a transition metal and optional boron), and a carbide-forming element (e.g. a refractory metal) that forms a carbide that is more thermodynamically favorable than the rare earth carbide whereby the rare earth compound (e.g. Nd.sub.2 Fe.sub.14 B or LaNi.sub.5) and a carbide of the carbide-forming element are formed.

An angular biasing method using arbitrary convex polyhedra for Monte Carlo radiation transport calculations

DOE PAGES

Kulesza, Joel A.; Solomon, Clell J.; Kiedrowski, Brian C.

2018-01-02

This paper presents a new method for performing angular biasing in Monte Carlo radiation transport codes using arbitrary convex polyhedra to define regions of interest toward which to project particles (DXTRAN regions). The method is derived and is implemented using axis-aligned right parallelepipeds (AARPPs) and arbitrary convex polyhedra. Attention is also paid to possible numerical complications and areas for future refinement. A series of test problems are executed with void, purely absorbing, purely scattering, and 50% absorbing/50% scattering materials. For all test problems tally results using AARPP and polyhedral DXTRAN regions agree with analog and/or spherical DXTRAN results within statisticalmore » uncertainties. In cases with significant scattering the figure of merit (FOM) using AARPP or polyhedral DXTRAN regions is lower than with spherical regions despite the ability to closely fit the tally region. This is because spherical DXTRAN processing is computationally less expensive than AARPP or polyhedral DXTRAN processing. Thus, it is recommended that the speed of spherical regions be considered versus the ability to closely fit the tally region with an AARPP or arbitrary polyhedral region. It is also recommended that short calculations be made prior to final calculations to compare the FOM for the various DXTRAN geometries because of the influence of the scattering behavior.« less

Two new frameworks of potassium saccharate obtained from acidic and alkaline solution

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

Lv, Yao-Kang; Feng, Yun-Long, E-mail: sky37@zjnu.edu.c; Liu, Ji-Wei

2011-05-15

Two chiral K(I) complexes based on D-saccharic acid (H{sub 2}sac), [K(Hsac)]{sub n} (1) and [K{sub 2}(sac)]{sub n} (2) were obtained from acidic and alkaline solution. The 3D framework of 1 includes K(I) polyhedral rods and typical pairwise coaxial right- and left-handed helical chains, and displays binodal 6-connected pcu topology. 2 contains 2D polyhedral sheets consisting of left-handed helical chains, and generates 3D network with an unprecedented (7,11)-connected net. Cyclic voltammetry tests and charge-discharge tests indicate that the addition of complex 2 to the electrolyte could improve the electrochemical properties of the nickel hydroxide electrode. -- Graphical abstract: Two K(I) complexesmore » based on D-saccharic acid (H{sub 2}sac), [K(Hsac)]{sub n} (1) and [K{sub 2}(sac)]{sub n} (2) were obtained and characterized. Electrochemical studies indicate the potential use of 2 in Ni-MH battery. Display Omitted highlights: > Two novel chiral K(I) frameworks based on D-saccharic acid were obtained. > The structure of 1 includes K(I) polyhedral rods and typical helical chains. > 2 contains 2D polyhedral sheets and generates an unprecedented (7,11)-connected net. > Addition of 2 to electrolyte could improve the nickel hydroxide electrode's property.« less

A Versatile Route to Unstable Diazo Compounds via Oxadiazolines and their Use in Aryl–Alkyl Cross‐Coupling Reactions

PubMed Central

Greb, Andreas; Poh, Jian‐Siang; Greed, Stephanie; Battilocchio, Claudio; Pasau, Patrick; Blakemore, David C.

2017-01-01

Abstract Coupling of readily available boronic acids and diazo compounds has emerged recently as a powerful metal‐free carbon–carbon bond forming method. However, the difficulty in forming the unstable diazo compound partner in a mild fashion has hitherto limited their general use and the scope of the transformation. Here, we report the application of oxadiazolines as precursors for the generation of an unstable family of diazo compounds using flow UV photolysis and their first use in divergent protodeboronative and oxidative C(sp2)−C(sp3) cross‐coupling processes, with excellent functional‐group tolerance. PMID:29088512

Thin layer of ordered boron-doped TiO2 nanotubes fabricated in a novel type of electrolyte and characterized by remarkably improved photoactivity

NASA Astrophysics Data System (ADS)

Siuzdak, Katarzyna; Szkoda, Mariusz; Lisowska-Oleksiak, Anna; Grochowska, Katarzyna; Karczewski, Jakub; Ryl, Jacek

2015-12-01

This paper reports a novel method of boron doped titania nanotube arrays preparation by electrochemical anodization in electrolyte containing boron precursor - boron trifluoride diethyl etherate (BF3 C4H10O), simultaneously acting as an anodizing agent. A pure, ordered TiO2 nanotubes array, as a reference sample, was also prepared in solution containing a standard etching compound: ammonium fluoride. The doped and pure titania were characterized by scanning electron microscopy, UV-vis spectroscopy, Raman spectroscopy, X-ray photoelectron spectroscopy, photoluminescence emission spectroscopy and by means of electrochemical methods. The B-doping decidedly shifts the absorption edge of TiO2 nanotubes towards the visible light region and significantly inhibits the radiative recombination processes. Despite the fact that the doped sample is characterized by 4.6 lower real surface area when compared to pure titania, it leads to the decomposition of methylene blue in 93%, that is over 2.3 times higher than the degradation efficiency exhibited by the undoped material. The formation rate of hydroxyl radicals (rad OH) upon illumination significantly favours boron doped titania as a photocatalytic material. Moreover, the simple doping of TiO2 nanotubes array results in the enhancement of generated photocurrent from 120 μA/cm2 to 350 μA/cm2 registered for undoped and doped electrode, respectively.

Gamma-ray irradiation enhanced boron-10 compound accumulation in murine tumors.

PubMed

Liu, Yong; Nagata, Kenji; Masunaga, Shin-ichiro; Suzuki, Minoru; Kashino, Genro; Kinashi, Yuko; Tanaka, Hiroki; Sakurai, Yoshinori; Maruhashi, Akira; Ono, Koji

2009-11-01

Previous studies have demonstrated that X-ray irradiation affects angiogenesis in tumors. Here, we studied the effects of gamma-ray irradiation on boron-10 compound accumulation in a murine tumor model. The mouse squamous cell carcinoma was irradiated with gamma-ray before BSH ((10)B-enriched borocaptate sodium) administration. Then, the boron-10 concentrations in tumor and normal muscle tissues were measured by prompt gamma-ray spectrometry (PGA). A tumor blood flow assay was performed, and cell killing effects of neutron irradiation with various combinations of BSH and gamma-rays were also examined. BSH concentrations of tumor tissues were 16.1 +/- 0.6 microg/g, 16.7 +/- 0.5 microg/g and 17.8 +/- 0.5 microg/g at 72 hours after gamma-ray irradiation at doses of 5, 10, and 20 Gy, compared with 13.1 +/- 0.5 microg/g in unirradiated tumor tissues. The enhancing inhibition of colony formation by neutron irradiation with BSH was also found after gamma-ray irradiation. In addition, increasing Hoechst 33342 perfusion was also observed. In this study, we demonstrated that gamma-ray irradiation enhances BSH accumulation in tumors. The present results suggest that the enhancement of (10)B concentration that occurs after gamma-ray irradiation may be due to the changes in the extracellular microenvironment, including in tumor vessels, induced by gamma-ray irradiation.

Ultra low friction carbon/carbon composites for extreme temperature applications

DOEpatents

Erdemir, Ali; Busch, Donald E.; Fenske, George R.; Lee, Sam; Shepherd, Gary; Pruett, Gary J.

2001-01-01

A carbon/carbon composite in which a carbon matrix containing a controlled amount of boron or a boron compound is reinforced with carbon fiber exhibits a low coefficient of friction, i.e., on the order of 0.04 to 0.1 at temperatures up to 600.degree. C., which is one of the lowest frictional coefficients for any type of carbonaceous material, including graphite, glassy carbon, diamond, diamond-like carbon and other forms of carbon material. The high degree of slipperiness of the carbon composite renders it particularly adapted for limiting friction and wear at elevated temperatures such as in seals, bearings, shafts, and flexible joints

Halogenated boron-dipyrromethenes: synthesis, properties and applications.

PubMed

Lakshmi, Vellanki; Rao, Malakalapalli Rajeswara; Ravikanth, Mangalampalli

2015-03-07

Boron-dipyrromethene dyes (BODIPYs) containing halogens at pyrrole carbons are very useful synthons for the synthesis of a variety of BOIDPYs for a wide range of applications. Among the functional groups, halogens are the functional groups which can be regiospecifically introduced at any desired pyrrole carbon of the BODIPY framework by adopting appropriate synthetic strategies. The halogenated BODIPYs can undergo facile nucleophilic substitution reactions to prepare several interesting BODIPY based compounds. This review describes the synthesis, properties and potential applications of halogenated BODIPYs containing one to six halogens at the pyrrole carbons of the BODIPY core as well as properties and applications of some of the substituted BODIPYs derived from halogenated BODIPYs.

Thermodynamical study of boron doped CeX{sub 3} (X=Pd, Rh)

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

Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

2016-05-06

The structural, electronic, thermal, and optical properties of cubic non magnetic CeX{sub 3}(X=Pd, Rh) compounds which crystallize in the Au{sub 3}Cu structure have been studied using the projected augmented wave (PAW) method within the density functional theory (DFT) with generalized gradient approximation (GGA) for exchange correlation potential. In this paper we have calculated the band structure which are interpreted using the density of states. The optical properties such as extinction coefficients clearly illustrate the changes in CeX{sub 3} due to intercalation of boron. Lattice instability is observed in CePd{sub 3}B from the calculated dynamical properties.

Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

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

Escobedo, Fernando A., E-mail: fe13@cornell.edu

The phase behavior and the homogeneous nucleation of an equimolar mixture of octahedra and cuboctahedra are studied using thermodynamic integration, Gibbs-Duhem integration, and umbrella sampling simulations. The components of this mixture are modeled as polybead objects of equal edge lengths so that they can assemble into a space-filling compound with the CsCl crystal structure. Taking as reference the hard-core system where the compound crystal does not spontaneously nucleate, we quantified the effect of inter-species selective interactions on facilitating the disorder-to-order transition. Facet selective and facet non-selective inter-species attractions were considered, and while the former was expectedly more favorable toward themore » target tessellating structure, the latter was found to be similarly effective in nucleating the crystal compound. Ranges for the strength of attractions and degree of supersaturation were identified where the nucleation free-energy barrier was small enough to foretell a fast process but large enough to prevent spinodal fluctuations that can trap the system in dense metastable states lacking long-range order. At those favorable conditions, the tendency toward the local orientational order favored by packing entropy is amplified and found to play a key role seeding nuclei with the CsCl structure.« less

QMD and classical MD simulation of alpha boron and boron-carbide behavior under pressure

NASA Astrophysics Data System (ADS)

Yanilkin, Alexey; Korotaev, Pavel; Kuksin, Alexey; Pokatashkin, Pavel

2015-06-01

Boron and some boron-rich compounds are super-hard and light-weighted material with a wide range of different applications. Nevertheless, the question of its behavior under pressure is still open. In the present work we study the equation of state (EOS), stability and deformation of α-B and B4C under high pressure within quantum and classical molecular dynamics (QMD and MD). Based on QMD results the finite temperature EOSs are revealed. CBC chain bending, amorphization and recrystallization of B4C are investigated under hydrostatic, uniform and uniaxial compression. The influence of nonhydrostatic loading is discussed. Angular dependent interatomic potentials are derived by force-matching method. The properties of α-B and B4C, obtained by classical potential, are verified. Structure, bulk modulus, pressure-volume relation, Gruneisen and thermal expansion coefficients are in good agreement with both ab initio and experimental data. These potentials are used to study shock wave propagation in a single crystal of α-B and B4C. Two mechanisms of shear deformation are observed: stacking fault formation and local amorphization. The crystallographic orientations of defects are in a good agreement with experiments.

AN INVESTIGATION OF THE BENZOIN METHOD FOR THE FLUORIMETRIC DETERMINATION OF BORON

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

Elliott, G.; Radley, J.A.

1961-01-01

The development of the boron -benzoin fluorescence at microgram concentrations of boron was investigated; a simple, but sensitive, fluorimeter was used. The development and decay of fluorescence intensity with time were observed in various solvents in the presence of different basic compounds. The fluorescence produced when formamide and its N-derivatives are used as the solvent media is stronger than that found when ethanol is used. A glycine buffer solution of pH 12.8 is effective in producing the correct conditions for developing fluorescence with ethanol as solvent, but is not effective in the formamide series of solvents. Isopropylamine and isobutylamine aremore » effective bases in both ethanol and the formamide series. For a series of solvents of a given chemical type, e.g., the formamides, there may be an increase in fluorescence intensity with dielectric constant, although this is not true for the alcohols. Oxygen has a pronounced inhibiting action on the development of fluorescence in ethanol, but has much less effect in formamide. There is a linear relationship between fluorescence intensity and amount of boron present in the range studied (0.05 to 0.5 - g). (auth)« less

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

Endoplasmic Reticulum-Localized Two-Photon-Absorbing Boron Dipyrromethenes as Advanced Photosensitizers for Photodynamic Therapy.

PubMed

Zhou, Yimin; Cheung, Ying-Kit; Ma, Chao; Zhao, Shirui; Gao, Di; Lo, Pui-Chi; Fong, Wing-Ping; Wong, Kam Sing; Ng, Dennis K P

2018-05-10

Two advanced boron dipyrromethene (BODIPY) based photosensitizers have been synthesized and characterized. With a glibenclamide analogous moiety, these compounds can localize in the endoplasmic reticulum (ER) of HeLa human cervical carcinoma cells and HepG2 human hepatocarcinoma cells. The BODIPY π skeleton is conjugated with two styryl or carbazolylethenyl groups, which can substantially red-shift the Q-band absorption and fluorescence emission and impart two-photon absorption (TPA) property to the chromophores. The TPA cross section of the carbazole-containing analogue reaches a value of 453 GM at 1010 nm. These compounds also behave as singlet oxygen generators with high photostability. Upon irradiation at λ > 610 nm, these photosensitizers cause photocytotoxicity to these two cell lines with IC 50 values down to 0.09 μM, for which the cell death is triggered mainly by ER stress. The two-photon photodynamic activity of the distyryl derivative upon excitation at λ = 800 nm has also been demonstrated.

Nanoparticles of CdCl2 with closed cage structures

NASA Astrophysics Data System (ADS)

Popovitz-Biro, R.; Twersky, A.; Hacohen, Y. Rosenfeld; Tenne, R.

2000-11-01

Nanoparticles of various layered compounds having a closed cage or nanotubular structure, designated also inorganic fullerene-like (IF) materials, have been reported in the past. In this work IF-CdCl2 nanoparticles were synthesized by electron beam irradiation of the source powder leading to its recrystallization into closed nanoparticles with a nonhollow core. This process created polyhedral nanoparticles with hexagonal or elongated rectangular characters. The analysis also shows that, while the source (dried) powder is orthorhombic cadmium chloride monohydrate, the crystallized IF cage consists of the anhydrous 3R polytype which is not stable as bulk material in ambient atmosphere. Consistent with previous observations, this study shows that the seamless structure of the IF materials can stabilize phases, which are otherwise unstable in ambient conditions.

Nanoparticles of CdI 2 with closed cage structures obtained via electron-beam irradiation

NASA Astrophysics Data System (ADS)

Sallacan, N.; Popovitz-Biro, R.; Tenne, R.

2003-06-01

Nanoparticles of various layered compounds were shown to form closed cage or nanotubular structures, which were designated as inorganic fullerene-like ( IF) materials. In particular, closed cage structures and nanotubes were synthesized from NiCl 2 and CdCl 2 in the past. In the present work IF-CdI 2 nanoparticles were synthesized by electron-beam irradiation of the source powder leading to evaporation and subsequent recrystallization into closed nanoparticles with a non-hollow core. This process created polyhedral nanoparticles with hexagonal or elongated rectangular characters. Consistent with previous observations, this study shows that the seamless structure of the IF materials can stabilize phases, which are otherwise unstable under the electron-beam irradiation.

Synthesis and characterization of an octaimidazolium-based polyhedral oligomeric silsesquioxanes ionic liquid by an ion-exchange reaction.

PubMed

Tan, Jinglin; Ma, Depeng; Sun, Xingrong; Feng, Shengyu; Zhang, Changqiao

2013-04-07

Preparation of POSS-min-DS, an octaimidazolium-based polyhedral oligomeric silsesquioxanes (POSS) room temperature ionic liquid, by an ion-exchange reaction between POSS and sodium dodecyl sulfate was reported. Octaimidazolium-based POSS was synthesized with more than 98% yield within 3 h. POSS-min-DS and octaimidazolium-based POSS were confirmed by (1)H, (13)C, and (29)Si NMR, FT-IR and elemental analysis.

Developments in Nanoscience: Polyhedral Oligomeric Silsesquioxane (POSS) - Polymers

DTIC Science & Technology

2004-03-08

Approved for public release; distribution is unlimited 1 Developments in Nanoscience: Polyhedral Oligomeric Silsesquioxane (POSS)-Polymers Timothy S ...Polymers 5a. CONTRACT NUMBER F04611-99-C-0025 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR( S ) Shawn Phillips; Timothy Haddad...Sandra Tomczak 5d. PROJECT NUMBER 2303 5e. TASK NUMBER M1A3 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES) ERC Incorporated

Controlled Synthesis and Magnetic Properties of Uniform Hierarchical Polyhedral α-Fe2O3 Particles

NASA Astrophysics Data System (ADS)

Long, Nguyen Viet; Yang, Yong; Thi, Cao Minh; Phuc, Le Hong; Nogami, Masayuki

2017-06-01

The controlled synthesis of uniform hierarchical polyhedral iron (Fe) micro-/nanoscale oxide particles with the α-Fe2O3 structure is presented. The hierarchical polyhedral iron oxide particles were synthesized by modified polyol methods with sodium borohydride as a powerful and efficient reducing agent. A critical heat treatment process used during the synthesis allowed for the interesting formation of α-Fe2O3 hematite with a micro-/nanoscale structure. The structure and weak ferromagnetism of the α-Fe2O3 particles were investigated by x-ray diffraction with whole pattern fitting and Rietveld refinement, scanning electron microscopy, and by vibrating sample magnetometry. The as-prepared α-Fe2O3 particles and the three dimensional models presented have promising practical applications for energy storage and conversion in batteries, capacitors, and fuel cells, and related spintronic devices and technologies.

Porcelain enamel neutron absorbing material

DOEpatents

Iverson, D.C.

1987-11-20

A porcelain enamel composition as a neutron absorbing material can be prepared of a major proportion by weight of a cadmium compound and a minor proportion of compound of boron, lithium and silicon. These compounds in the form of a porcelain enamel coating or layer on several alloys has been found to be particularly effective in enhancing the nuclear safety of equipment for use in the processing and storage of fissile material. The composition of the porcelain enamel coating can be tailored to match the coefficient of thermal expansion of the equipment to be coated and excellent coating adhesion can be achieved. 2 figs.

Porcelain enamel neutron absorbing material

DOEpatents

Iverson, Daniel C.

1990-01-01

A porcelain enamel composition as a neutron absorbing material can be prepared of a major proportion by weight of a cadmium compound and a minor proportion of compounds of boron, lithium and silicon. These compounds in the form of a porcelain enamel coating or layer on several alloys has been found to be particularly effective in enhancing the nuclear safety of equipment for use in the processing and storage of fissile material. The composition of the porcelain enamel coating can be tailored to match the coefficient of thermal expansion of the equipment to be coated and excellent coating adhesion can be achieved.

Porcelain enamel neutron absorbing material

DOEpatents

Iverson, Daniel C.

1990-02-06

A porcelain enamel composition as a neutron absorbing material can be prepared of a major proportion by weight of a cadmium compound and a minor proportion of compounds of boron, lithium and silicon. These compounds in the form of a porcelain enamel coating or layer on several alloys has been found to be particularly effective in enhancing the nuclear safety of equipment for use in the processing and storage of fissile material. The composition of the porcelain enamel coating can be tailored to match the coefficient of thermal expansion of the equipment to be coated and excellent coating adhesion can be achieved.

Unstructured Polyhedral Mesh Thermal Radiation Diffusion

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

Palmer, T.S.; Zika, M.R.; Madsen, N.K.

2000-07-27

Unstructured mesh particle transport and diffusion methods are gaining wider acceptance as mesh generation, scientific visualization and linear solvers improve. This paper describes an algorithm that is currently being used in the KULL code at Lawrence Livermore National Laboratory to solve the radiative transfer equations. The algorithm employs a point-centered diffusion discretization on arbitrary polyhedral meshes in 3D. We present the results of a few test problems to illustrate the capabilities of the radiation diffusion module.

Polyhedral integrated and free space optical interconnection

DOEpatents

Erteza, I.A.

1998-01-06

An optical communication system uses holographic optical elements to provide guided wave and non-guided communication, resulting in high bandwidth, high connectivity optical communications. Holograms within holographic optical elements route optical signals between elements and between nodes connected to elements. Angular and wavelength multiplexing allow the elements to provide high connectivity. The combination of guided and non-guided communication allows compact polyhedral system geometries. Guided wave communications provided by multiplexed substrate-mode holographic optical elements eases system alignment. 7 figs.

Polyhedral integrated and free space optical interconnection

DOEpatents

Erteza, Ireena A.

1998-01-01

An optical communication system uses holographic optical elements to provide guided wave and non-guided communication, resulting in high bandwidth, high connectivity optical communications. Holograms within holographic optical elements route optical signals between elements and between nodes connected to elements. Angular and wavelength multiplexing allow the elements to provide high connectivity. The combination of guided and non-guided communication allows compact polyhedral system geometries. Guided wave communications provided by multiplexed substrate-mode holographic optical elements eases system alignment.

Generic first-order phase transitions between isotropic and orientational phases with polyhedral symmetries

NASA Astrophysics Data System (ADS)

Liu, Ke; Greitemann, Jonas; Pollet, Lode

2018-01-01

Polyhedral nematics are examples of exotic orientational phases that possess a complex internal symmetry, representing highly nontrivial ways of rotational symmetry breaking, and are subject to current experimental pursuits in colloidal and molecular systems. The classification of these phases has been known for a long time; however, their transitions to the disordered isotropic liquid phase remain largely unexplored, except for a few symmetries. In this work, we utilize a recently introduced non-Abelian gauge theory to explore the nature of the underlying nematic-isotropic transition for all three-dimensional polyhedral nematics. The gauge theory can readily be applied to nematic phases with an arbitrary point-group symmetry, including those where traditional Landau methods and the associated lattice models may become too involved to implement owing to a prohibitive order-parameter tensor of high rank or (the absence of) mirror symmetries. By means of exhaustive Monte Carlo simulations, we find that the nematic-isotropic transition is generically first-order for all polyhedral symmetries. Moreover, we show that this universal result is fully consistent with our expectation from a renormalization group approach, as well as with other lattice models for symmetries already studied in the literature. We argue that extreme fine tuning is required to promote those transitions to second-order ones. We also comment on the nature of phase transitions breaking the O(3 ) symmetry in general cases.

Sensitivity of energy-packed compounds based on superfine and nanoporous silicon to pulsed electrical treatments

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

Zegrya, G. G.; Savenkov, G. G.; Morozov, V. A.

2017-04-15

The sensitivity of an energy-packed compound based on nanoporous silicon and calcium perchlorate to a high-current electron beam is studied. The initiation of explosive transformations in a mixture of potassium picrate with a highly dispersed powder of boron-doped silicon by means of a high-voltage discharge is examined. It is shown that explosive transformation modes (combustion and explosion) appear in the energy-packed compound under study upon its treatment with an electron beam. A relationship is established between the explosive transformation modes and the density of the energy-packed compound and between the breakdown (initiation) voltage and the mass fraction of the siliconmore » powder.« less

A Versatile Route to Unstable Diazo Compounds via Oxadiazolines and their Use in Aryl-Alkyl Cross-Coupling Reactions.

PubMed

Greb, Andreas; Poh, Jian-Siang; Greed, Stephanie; Battilocchio, Claudio; Pasau, Patrick; Blakemore, David C; Ley, Steven V

2017-12-22

Coupling of readily available boronic acids and diazo compounds has emerged recently as a powerful metal-free carbon-carbon bond forming method. However, the difficulty in forming the unstable diazo compound partner in a mild fashion has hitherto limited their general use and the scope of the transformation. Here, we report the application of oxadiazolines as precursors for the generation of an unstable family of diazo compounds using flow UV photolysis and their first use in divergent protodeboronative and oxidative C(sp 2 )-C(sp 3 ) cross-coupling processes, with excellent functional-group tolerance. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis and study of antibacterial activities of antibacterial glycopeptide antibiotics conjugated with benzoxaboroles.

PubMed

Printsevskaya, S S; Reznikova, M I; Korolev, A M; Lapa, G B; Olsufyeva, E N; Preobrazhenskaya, M N; Plattner, J J; Zhang, Y K

2013-04-01

The ability of boron-containing compounds to undergo a number of novel binding interactions with drug target functional groups has recently been described. In an extension of this work, we have incorporated a boron-containing scaffold, the benzoxaborole, into several glycopeptides antibiotics. The aim of this work is to exploit the inherent reactivity of boron to gain additional interactions with the bacterial cell wall components to improve binding affinity and to thereby overcome resistance. Three antibacterial glycopeptides (vancomycin, eremomycin and teicoplanin aglycone) have been selected for the construction of a series of 12 new benzoxaborole-glycopeptide conjugates. The hybrid antibiotics, in which the benzoxaborole and glycopeptide moieties were separated by a linker, exhibited excellent antibacterial activity against Gram-positive bacteria, including those with intermediate susceptibility to glycopeptides. Some analogs also demonstrated activity against vancomycin-resistant enterococci. Conjugation of antibiotics with benzoxaborole derivatives provides antibiotics with new and useful properties. Teicoplanin aglycone-benzoxaborole derivatives overcome resistance of Gram-positive bacteria to vancomycin.

Quantitative bioimaging of p-boronophenylalanine in thin liver tissue sections as a tool for treatment planning in boron neutron capture therapy.

PubMed

Reifschneider, Olga; Schütz, Christian L; Brochhausen, Christoph; Hampel, Gabriele; Ross, Tobias; Sperling, Michael; Karst, Uwe

2015-03-01

An analytical method using laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) was developed and applied to assess enrichment of 10B-containing p-boronophenylalanine-fructose (BPA-f) and its pharmacokinetic distribution in human tissues after application for boron neutron capture therapy (BNCT). High spatial resolution (50 μm) and limits of detection in the low parts-per-billion range were achieved using a Nd:YAG laser of 213 nm wavelength. External calibration by means of 10B-enriched standards based on whole blood proved to yield precise quantification results. Using this calibration method, quantification of 10B in cancerous and healthy tissue was carried out. Additionally, the distribution of 11B was investigated, providing 10B enrichment in the investigated tissues. Quantitative imaging of 10B by means of LA-ICP-MS was demonstrated as a new option to characterise the efficacy of boron compounds for BNCT.

Biomass-directed synthesis of 20 g high-quality boron nitride nanosheets for thermoconductive polymeric composites.

PubMed

Wang, Xue-Bin; Weng, Qunhong; Wang, Xi; Li, Xia; Zhang, Jun; Liu, Fei; Jiang, Xiang-Fen; Guo, Hongxuan; Xu, Ningsheng; Golberg, Dmitri; Bando, Yoshio

2014-09-23

Electrically insulating boron nitride (BN) nanosheets possess thermal conductivity similar to and thermal and chemical stabilities superior to those of electrically conductive graphenes. Currently the production and application of BN nanosheets are rather limited due to the complexity of the BN binary compound growth, as opposed to massive graphene production. Here we have developed the original strategy "biomass-directed on-site synthesis" toward mass production of high-crystal-quality BN nanosheets. The strikingly effective, reliable, and high-throughput (dozens of grams) synthesis is directed by diverse biomass sources through the carbothermal reduction of gaseous boron oxide species. The produced BN nanosheets are single crystalline, laterally large, and atomically thin. Additionally, they assemble themselves into the same macroscopic shapes peculiar to original biomasses. The nanosheets are further utilized for making thermoconductive and electrically insulating epoxy/BN composites with a 14-fold increase in thermal conductivity, which are envisaged to be particularly valuable for future high-performance electronic packaging materials.

Stereospecific Cross-Coupling of Secondary Alkyl β-Trifluoroboratoamides

PubMed Central

Sandrock, Deidre L.; Jean-Gérard, Ludivine; Chen, Cheng-yi; Dreher, Spencer D.; Molander, Gary A.

2010-01-01

The stereospecific cross-coupling of enantioenriched non-benzylic secondary alkyl boron compounds has been achieved. The high selectivity toward product formation over an undesired β-H elimination pathway is achieved via an intramolecular coordination of an ancillary carbonyl to the metal center in the diorganopalladium intermediate. PMID:21077687

Boronated porphyrin compounds

DOEpatents

Kahl, Stephen B.; Koo, Myoung-Seo

1992-01-01

A compound is described having the structure ##STR1## where R preferably is ##STR2## and most preferably R.sup.3 is a closo-carborane and R.sup.2 is --H, an alkyl or aryl having 1 to about 7 carbon atoms, This invention was made with Government support under NIH Grant No. CA-37961 awarded by the Department of Health and Human Services and under the Associated Universities Inc. Contract No. De-AC02-76CH00016 with the U.S. Department of Energy. The Government has rights in this invention.

Boronated porphyrin compounds

DOEpatents

Kahl, S.B.; Koo, M.S.

1992-09-22

A compound is described having the structure ##STR1## where R preferably is ##STR2## and most preferably R.sup.3 is a closo-carborane and R.sup.2 is --H, an alkyl or aryl having 1 to about 7 carbon atoms, This invention was made with Government support under NIH Grant No. CA-37961 awarded by the Department of Health and Human Services and under the Associated Universities Inc. Contract No. De-AC02-76CH00016 with the U.S. Department of Energy. The Government has rights in this invention.

Biocompatibility of functionalized boron phosphate (BPO4) nanoparticles for boron neutron capture therapy (BNCT) application.

PubMed

Achilli, Cesare; Grandi, Stefania; Ciana, Annarita; Guidetti, Gianni F; Malara, Alessandro; Abbonante, Vittorio; Cansolino, Laura; Tomasi, Corrado; Balduini, Alessandra; Fagnoni, Maurizio; Merli, Daniele; Mustarelli, Piercarlo; Canobbio, Ilaria; Balduini, Cesare; Minetti, Giampaolo

2014-04-01

Boron neutron capture therapy (BNCT) is a radiotherapy treatment based on the accumulation in the tumor of a (10)B-containing drug and subsequent irradiation with low energy neutrons, which bring about the decay of (10)B to (7)Li and an α particle, causing the death of the neoplastic cell. The effectiveness of BNCT is limited by the low delivery and accumulation of the used boron-containing compounds. Here we report the development and the characterization of BPO4 nanoparticles (NPs) as a novel possible alternative drug for BNCT. An extensive analysis of BPO4 NP biocompatibility was performed using both mature blood cells (erythrocytes, neutrophils and platelets) and a model of hematopoietic progenitor cells. A time- and concentration-dependent cytotoxicity study was performed on neoplastic coloncarcinoma and osteosarcoma cell lines. BPO4 functionalization with folic acid, introduced to improve the uptake by tumor cells, appeared to effectively limit the unwanted effects of NPs on the analyzed blood components. Boron neutron capture therapy (BNCT) is a radiotherapy treatment modality based on the accumulation of a (10)B-containing drug and subsequent irradiation with low energy neutrons, inducing the decay of (10)B to (7)Li and an α particle, causing neoplastic cell death. This team of authors reports on a folic acid functionalized BPO4 nanoparticle with improved characteristics compared with conventional BNCT approaches, as demonstrated in tumor cell lines, and hopefully to be followed by translational human studies. © 2014.

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

Capillary electrophoresis-electrospray mass spectrometry and HR-ICP-MS for the detection and quantification of 10B-boronophenylalanine (10B-BPA) used in boron neutron capture therapy.

PubMed

Pitois, Aurélien; de las Heras, Laura Aldave; Zampolli, Antonella; Menichetti, Luca; Carlos, Ramon; Lazzerini, Guido; Cionini, Luca; Salvatori, Pietro Alberto; Betti, Maria

2006-02-01

Boron neutron capture therapy (BNCT) is a bimodal radiotherapeutic treatment based on the irradiation of neoplastic tissues with neutrons after the tissues have selectively accumulated molecules loaded with nuclides with large neutron capture cross-sections (such boron-10). Boron-10 carriers have been tested to a limited extent, and clinical trials have been conducted on sulfhydryl borane (10B-BSH) and boronophenylalanine (10B-BPA). However, precise and accurate measurements of boron-10 concentrations (0.1-100 microg/g) in specimens and samples of limited size (microg scale) are needed in order to be able to biologically characterise new compounds in predictive tissue dosimetry, toxicology and pharmacology studies as well as in clinical investigations. A new approach based on fast separation and detection of 10B-BPA performed by coupling capillary electrophoresis to electrospray mass spectrometry is reported. This method allows the quantitative analysis and characterisation of 10B-BPA in a short time with a high separation efficiency. Detection limits of 3 microM for 10B-BPA and 30 ng/mL for 10B were obtained with CE-ESI-MS. A quantification limit of 10 microM for 10B-BPA (100 ng/mL for 10B) was attained. The total boron-10 concentration was determined by high-resolution inductively coupled mass spectrometry in order to validate the method. Boron-10 isotope measurements were carried out by HR-ICP-MS at medium resolution (R=4000) due to the presence of an isobaric interference at mass 10. Good agreement was obtained between the values from CE-ESI-MS and those from HR-ICP-MS. The method has been successfully used to determine the 10B-BPA in two lines of cultured cells.

Electrorheological fluids and methods

DOEpatents

Green, Peter F.; McIntyre, Ernest C.

2015-06-02

Electrorheological fluids and methods include changes in liquid-like materials that can flow like milk and subsequently form solid-like structures under applied electric fields; e.g., about 1 kV/mm. Such fluids can be used in various ways as smart suspensions, including uses in automotive, defense, and civil engineering applications. Electrorheological fluids and methods include one or more polar molecule substituted polyhedral silsesquioxanes (e.g., sulfonated polyhedral silsesquioxanes) and one or more oils (e.g., silicone oil), where the fluid can be subjected to an electric field.

Space-time resolving vacuum ultraviolet spectrometer based on a rotating polyhedral mirror

NASA Astrophysics Data System (ADS)

Lin, Xiaodong; Xie, Jikang

2000-05-01

Using a rotating polyhedral mirror and a vacuum ultraviolet (VUV) monochromater, a space-time resolving VUV diagnostic system is developed. Measurement of the O VI (103.2 nm) radiation on the HT-6M tokamak shows that the time resolution of the system is better than 4 ms and the space resolution is better than 2 cm. Compared with traditional instruments, this system has improved measurement efficiency, and error from shot-to-shot discharge variations is avoided.

Synthesis of metal-polymer nanocomposites for fuel applications

NASA Astrophysics Data System (ADS)

Pontes Lima, Ricardo Jose

Metal particles have long been of interest as fuel and fuel additives for propellants and explosives because their high-density energy. In general, their volumetric energy density is higher as compared to conventional hydrocarbon-based fuel. This advantage is clearly beneficial for volume-limited rocket propulsion systems, in which the most important parameter is the density-based specific impulse. It is widely known that the reactivity of metal particles increases when particle size decreases. Significant improvements in combustion behaviors of propellant have been attributed to the use of nanosize metal particles, for example faster burning rates and shorter ignition delay time. For this reason the application of nanosize particles as fuel could be preferable than large particles. However, several difficulties limit the use of ultrafine particles in fuel applications and propellants. Most of them are attributed to the oxide layer formation on the particles that prevents good combustion performance. In boron applications, practical difficulties such as poor ignition and combustion performance, have so far limited extensive use of boron for fuel applications. Indications are that application of non-oxide coatings on particles protects them against premature oxidation and enhances their combustion properties. A number of methods have been proposed to coat metal particles with a variety of organic compounds or other metals. Common applications provides coatings of saturated hydrocarbons or fatty acids, such as oleic acid as a means to passivation the particles. Recently, high-energy ball milling, in combination with chemical reactions, was applied to fabricate nanostructured metal particles coated with organic compounds. One of the advantages of this technique is that the passivation be integrated into the production of particles as a single step. For example, the reactive milling of boron in oleic acid solution showed an improved reactivity of as-milled powders. However, the versatility of the mechanical milling technique suggests that a vast range of organic compounds could be applied to the capping of particles. Thus, developing a new method to obtain metal nanosized particles coated with chemical substances that can further improve the properties of particles is a great challenge. The first contribution of this work is to investigate the reactive milling process of metal powders, such as boron and aluminum, to better understand the experimental methodology as a means to obtain energetic-capped metal particles. To this end, a comparative experimental study was performed to evaluate two variations of the mechanical milling. In a typical procedure, metal powders and the reagents are poured into the mill vial at the start of milling. The organic reactions occur simultaneously in the milling process. In the alternative procedure, the powders are milled prior the addition of the organic reagent, thus a stepwise process is done. For both methods, an organic functionalized compound was grafted onto the particles, followed by their incorporation into an energetic polymer matrix to create a metal-polymer composite. The results highlight the differences in shape in size of particles, identifying some drawbacks for both applications, as well as analyzing the effects on combustion properties of the organic-capped powders and the binder composites. The analysis of the first results of the reactive milling showed that this way might lead to by-products and self-polymerization of organic coatings. That is the main drawback for the simultaneous milling process, preventing a better performance of as-milled powders. Considering this problem, it was necessary to modify the milling procedure to further improve the capping of metal particle. Thus, the second part of experiments applies an energetic polymer direct grafted onto particles as a means to further improvements in the energetic properties of powders. Glycidyl azide polymer (GAP) was chosen as candidate to coat the particles because of its good energetic properties. Since the mixture viscosity increases as the size of particles decreases, low-viscosity reagents are recommended to avoid very high viscosity. The molecular weight of GAP can range from 700 to 5500 and the number of hydroxyl end groups from 0 (GAP plasticizer) to 3. Among these polymers, the GAP plasticizer (700 g mol-1, low viscosity) has good properties to be applied in reactive milling. However, some functionalized groups are necessary to graft the polymer onto metal particles and the GAP plasticizer does not carry telechelic hydroxyl groups. To achieve a better reactivity of this polymer and the fresh metal surface, the GAP plasticizer was chemically modified to make some additional acid-functionalized branches in the main chain of the polymer. The direct method for coating the metal particles with the modified GAP was more effective in forming the energetic layer, which has influenced the dispersion of powders into polymers and increased the total energy release by the combustion of metal-polymer composites. The last phase of this research addressed the production of boron-polymer composites for combustion purposes. Boron has a very high gravimetric (58 kJ/g) and volumetric (136 kJ/cc) heating value. This clearly exceeds other metal or other conventional hydrocarbon fuels in both mass and volumetric energy production. Despite of this great potential energy, boron has rarely achieved its potential in propulsion systems, whereas the aluminum is the most common metal employed in the preparation of composite solid propellants. A number of studies addressed to the boron combustion attribute its reduced performance to a certain combustion property of the metal. The boron oxide (B2O3) layer, normally found on the particles is highly stable and leads to long ignition delay times. Therefore, the elemental boron ignites in a two-stage process. The first stage corresponds to the burning of boron covered with an oxide layer, and the second stage involves the completion of the combustion of the bare boron particle. The use of light metals, such as magnesium and aluminum as additives in boron formulations, has been indicated as a means to enhance its combustion efficiency. Recently, improvements of the combustion efficiency of boron were associated with the use of magnesium and aluminum as additives. The mechanism proposed for these improvements was boron oxide removal by reaction with aluminum and the additional heat release by the easy ignition of magnesium. In this work, it was proposed to apply of a layer of energetic polymer on the boron particles, which, in addition to releasing a significant amount of energy, brings other benefits in terms of the final application of the particles as fuel (i.e., the dispersion of particles into a polymer binder).

Benzoxaborole compounds for therapeutic uses: a patent review (2010- 2018).

PubMed

Nocentini, Alessio; Supuran, Claudiu T; Winum, Jean-Yves

2018-06-01

Benzoxaborole is a versatile boron-heterocyclic scaffold which has found in the last 10 years a broad spectrum of applications in medicinal chemistry, due to its physicochemical and drug-like properties. Use of benzoxaborole moiety in the design of compounds led to the discovery of new classes of anti-bacterial, anti-fungal, anti-protozoal, anti-viral as well as anti-inflammatory agents with interesting drug development perspectives. Areas covered: This article reviews the patent literature as well as chemistry literature during the period 2010-2018 where in several benzoxaborole derivatives with therapeutic options were reported. Expert opinion: Two benzoxaborole derivatives are already clinically used for the treatment of onychomycosis (tavaborole) and atopic dermatitis (crisaborole), with several others in various phases of clinical trials. By inhibiting enzymes essential in the life cycle of fungal, protozoan, bacterial and viral pathogens, it is probable that other compounds may soon enter the armamentarium of anti-infective agents. On the other hand, phosphodiesterase 4 seems to be the human target responsible of the anti-inflammatory action of some benzoxaboroles. The chemical versatility, peculiar mechanism of action related to the electron deficient nature of the boron atom, and ease of preparation make benzoxaboroles a highly interesting field for the pharmaceutical industry.

Superhard Rhenium/Tungsten Diboride Solid Solutions.

PubMed

Lech, Andrew T; Turner, Christopher L; Lei, Jialin; Mohammadi, Reza; Tolbert, Sarah H; Kaner, Richard B

2016-11-02

Rhenium diboride (ReB 2 ), containing corrugated layers of covalently bonded boron, is a superhard metallic compound with a microhardness reaching as high as 40.5 GPa (under an applied load of 0.49 N). Tungsten diboride (WB 2 ), which takes a structural hybrid between that of ReB 2 and AlB 2 , where half of the boron layers are planar (as in AlB 2 ) and half are corrugated (as in ReB 2 ), has been shown not to be superhard. Here, we demonstrate that the ReB 2 -type structure can be maintained for solid solutions of tungsten in ReB 2 with tungsten content up to a surprisingly large limit of nearly 50 atom %. The lattice parameters for the solid solutions linearly increase along both the a- and c-axes with increasing tungsten content, as evaluated by powder X-ray and neutron diffraction. From micro- and nanoindentation hardness testing, all of the compositions within the range of 0-48 atom % W are superhard, and the bulk modulus of the 48 atom % solid solution is nearly identical to that of pure ReB 2 . These results further indicate that ReB 2 -structured compounds are superhard, as has been predicted from first-principles calculations, and may warrant further studies into additional solid solutions or ternary compounds taking this structure type.

Application of neutron capture autoradiography to Boron Delivery seeking techniques for selective accumulation of boron compounds to tumor with intra-arterial administration of boron entrapped water-in-oil-in-water emulsion

NASA Astrophysics Data System (ADS)

Mikado, S.; Yanagie, H.; Yasuda, N.; Higashi, S.; Ikushima, I.; Mizumachi, R.; Murata, Y.; Morishita, Y.; Nishimura, R.; Shinohara, A.; Ogura, K.; Sugiyama, H.; Iikura, H.; Ando, H.; Ishimoto, M.; Takamoto, S.; Eriguchi, M.; Takahashi, H.; Kimura, M.

2009-06-01

It is necessary to accumulate the 10B atoms selectively to the tumor cells for effective Boron Neutron Capture Therapy (BNCT). In order to achieve an accurate measurement of 10B accumulations in the biological samples, we employed a technique of neutron capture autoradiography (NCAR) of sliced samples of tumor tissues using CR-39 plastic track detectors. The CR-39 track detectors attached with the biological samples were exposed to thermal neutrons in the thermal column of the JRR3 of Japan Atomic Energy Agency (JAEA). We obtained quantitative NCAR images of the samples for VX-2 tumor in rabbit liver after injection of 10BSH entrapped water-in-oil-in-water (WOW) emulsion by intra-arterial injection via proper hepatic artery. The 10B accumulations and distributions in VX-2 tumor and normal liver of rabbit were investigated by means of alpha-track density measurements. In this study, we showed the selective accumulation of 10B atoms in the VX-2 tumor by intra-arterial injection of 10B entrapped WOW emulsion until 3 days after injection by using digitized NCAR images (i.e. alpha-track mapping).

A Hypoxia-Targeted Boron Neutron Capture Therapy Agent for the Treatment of Glioma.

PubMed

Luderer, Micah John; Muz, Barbara; de la Puente, Pilar; Chavalmane, Sanmathi; Kapoor, Vaishali; Marcelo, Raymundo; Biswas, Pratim; Thotala, Dinesh; Rogers, Buck; Azab, Abdel Kareem

2016-10-01

Boron neutron capture therapy (BNCT) has the potential to become a viable cancer treatment modality, but its clinical translation has been limited by the poor tumor selectivity of agents. To address this unmet need, a boronated 2-nitroimidazole derivative (B-381) was synthesized and evaluated for its capability of targeting hypoxic glioma cells. B-381 has been synthesized from a 1-step reaction. Using D54 and U87 glioma cell lines, the in vitro cytotoxicity and cellular accumulation of B-381 has been evaluated under normoxic and hypoxic conditions compared to L-boronophenylalanine (BPA). Furthermore, tumor retention of B-381 was evaluated in vivo. B-381 had low cytotoxicity in normal and cancer cells. Unlike BPA, B-381 illustrated preferential retention in hypoxic glioma cells compared to normoxic glioma cells and normal tissues in vitro. In vivo, B-381 illustrated significantly higher long-term tumor retention compared to BPA, with 9.5-fold and 6.5-fold higher boron levels at 24 and 48 h, respectively. B-381 represents a new class of BNCT agents in which their selectivity to tumors is based on hypoxic tumor metabolism. Further studies are warranted to evaluate B-381 and similar compounds as preclinical candidates for future BNCT clinical trials for the treatment of glioma.

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 .

Development of rapidly quenched nickel-based non-boron filler metals for brazing corrosion resistant steels

NASA Astrophysics Data System (ADS)

Ivannikov, A.; Kalin, B.; Suchkov, A.; Penyaz, M.; Yurlova, M.

2016-04-01

Corrosion-resistant steels are stably applied in modern rocket and nuclear technology. Creating of permanent joints of these steels is a difficult task that can be solved by means of welding or brazing. Recently, the use rapidly quenched boron-containing filler metals is perspective. However, the use of such alloys leads to the formation of brittle borides in brazing zone, which degrades the corrosion resistance and mechanical properties of the compounds. Therefore, the development of non-boron alloys for brazing stainless steels is important task. The study of binary systems Ni-Be and Ni-Si revealed the perspective of replacing boron in Ni-based filler metals by beryllium, so there was the objective of studying of phase equilibrium in the system Ni-Be-Si. The alloys of the Ni-Si-Be with different contents of Si and Be are considered in this paper. The presence of two low-melting components is revealed during of their studying by methods of metallography analysis and DTA. Microhardness is measured and X-ray diffraction analysis is conducted for a number of alloys of Ni-Si-Be. The compositions are developed on the basis of these data. Rapidly quenched brazing alloys can be prepared from these compositions, and they are suitable for high temperature brazing of steels.

A pyramid scheme for three-dimensional diffusion equations on polyhedral meshes

NASA Astrophysics Data System (ADS)

Wang, Shuai; Hang, Xudeng; Yuan, Guangwei

2017-12-01

In this paper, a new cell-centered finite volume scheme is proposed for three-dimensional diffusion equations on polyhedral meshes, which is called as pyramid scheme (P-scheme). The scheme is designed for polyhedral cells with nonplanar cell-faces. The normal flux on a nonplanar cell-face is discretized on a planar face, which is determined by a simple optimization procedure. The resulted discrete form of the normal flux involves only cell-centered and cell-vertex unknowns, and is free from face-centered unknowns. In the case of hexahedral meshes with skewed nonplanar cell-faces, a quite simple expression is obtained for the discrete normal flux. Compared with the second order accurate O-scheme [31], the P-scheme is more robust and the discretization cost is reduced remarkably. Numerical results are presented to show the performance of the P-scheme on various kinds of distorted meshes. In particular, the P-scheme is shown to be second order accurate.

Novel Cage-Like Hexanuclear Nickel(II) Silsesquioxane. Synthesis, Structure, and Catalytic Activity in Oxidations with Peroxides.

PubMed

Bilyachenko, Alexey N; Yalymov, Alexey I; Shul'pina, Lidia S; Mandelli, Dalmo; Korlyukov, Alexander A; Vologzhanina, Anna V; Es'kova, Marina A; Shubina, Elena S; Levitsky, Mikhail M; Shul'pin, Georgiy B

2016-05-19

New hexanuclear nickel(II) silsesquioxane [(PhSiO1.5)12(NiO)₆(NaCl)] (1) was synthesized as its dioxane-benzonitrile-water complex (PhSiO1,5)12(NiO)₆(NaCl)(C₄H₈O₂)13(PhCN)₂(H₂O)₂ and studied by X-ray and topological analysis. The compound exhibits cylinder-like type of molecular architecture and represents very rare case of polyhedral complexation of metallasilsesquioxane with benzonitrile. Complex 1 exhibited catalytic activity in activation of such small molecules as light alkanes and alcohols. Namely, oxidation of alcohols with tert-butylhydroperoxide and alkanes with meta-chloroperoxybenzoic acid. The oxidation of methylcyclohexane gave rise to the isomeric ketones and unusual distribution of alcohol isomers.

Thermal evaporation and condensation synthesis of metallic Zn layered polyhedral microparticles

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

Khan, Waheed S.; Cao, Chuanbao, E-mail: cbcao@bit.edu.cn; Usman, Zahid

2011-12-15

Highlights: Black-Right-Pointing-Pointer Zn polyhedral microparticles prepared by thermal evaporation and condensation route. Black-Right-Pointing-Pointer Vapour-solid process based growth model governs the formation of Zn microparticles. Black-Right-Pointing-Pointer A strong PL emission band is observed at 369 nm in UV region. Black-Right-Pointing-Pointer Radiative recombination of electrons in the s, p conduction band and the holes in the d bands causes this emission. -- Abstract: Metallic zinc layered polyhedral microparticles have been fabricated by thermal evaporation and condensation technique using zinc as precursor at 750 Degree-Sign C for 120 min and NH{sub 3} as a carrier gas. The zinc polyhedral microparticles with oblate sphericalmore » shape are observed to be 2-9 {mu}m in diameter along major axes and 1-7 {mu}m in thickness along minor axes. The structural, compositional and morphological characterizations were performed by X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDS), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and selected area electron diffraction (SAED). A vapour-solid (VS) mechanism based growth model has been proposed for the formation of Zn microparticles. Room temperature photoluminescence (PL) emission spectrum of the product exhibited a strong emission band at 369 nm attributed to the radiative recombination of electrons in the s, p conduction band near Fermi surface and the holes in the d bands generated by the optical excitation.« less

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.

Groundwater-quality characteristics for the Wyoming Groundwater-Quality Monitoring Network, November 2009 through September 2012

USGS Publications Warehouse

Boughton, Gregory K.

2014-01-01

Groundwater samples were collected from 146 shallow (less than or equal to 500 feet deep) wells for the Wyoming Groundwater-Quality Monitoring Network, from November 2009 through September 2012. Groundwater samples were analyzed for physical characteristics, major ions and dissolved solids, trace elements, nutrients and dissolved organic carbon, uranium, stable isotopes of hydrogen and oxygen, volatile organic compounds, and coliform bacteria. Selected samples also were analyzed for gross alpha radioactivity, gross beta radioactivity, radon, tritium, gasoline range organics, diesel range organics, dissolved hydrocarbon gases (methane, ethene, and ethane), and wastewater compounds. Water-quality measurements and concentrations in some samples exceeded numerous U.S. Environmental Protection Agency (EPA) drinking water standards. Physical characteristics and constituents that exceeded EPA Maximum Contaminant Levels (MCLs) in some samples were arsenic, selenium, nitrite, nitrate, gross alpha activity, and uranium. Total coliforms and Escherichia coli in some samples exceeded EPA Maximum Contaminant Level Goals. Measurements of pH and turbidity and concentrations of chloride, sulfate, fluoride, dissolved solids, aluminum, iron, and manganese exceeded EPA Secondary Maximum Contaminant Levels in some samples. Radon concentrations in some samples exceeded the alternative MCL proposed by the EPA. Molybdenum and boron concentrations in some samples exceeded EPA Health Advisory Levels. Water-quality measurements and concentrations also exceeded numerous Wyoming Department of Environmental Quality (WDEQ) groundwater standards. Physical characteristics and constituents that exceeded WDEQ Class I domestic groundwater standards in some samples were measurements of pH and concentrations of chloride, sulfate, dissolved solids, iron, manganese, boron, selenium, nitrite, and nitrate. Measurements of pH and concentrations of chloride, sulfate, dissolved solids, aluminum, iron, manganese, boron, and selenium exceeded WDEQ Class II agriculture groundwater standards in some samples. Measurements of pH and concentrations of sulfate, dissolved solids, aluminum, boron, and selenium exceeded WDEQ Class III livestock groundwater standards in some samples. The concentrations of dissolved solids in two samples exceeded the WDEQ Class IV industry groundwater standard. Measurements of pH and concentrations of dissolved solids, aluminum, iron, manganese, and selenium exceeded WDEQ Class special (A) fish and aquatic life groundwater standards in some samples. Stable isotopes of hydrogen and oxygen measured in water samples were compared to the Global Meteoric Water Line and Local Meteoric Water Lines. Results indicated that recharge to all of the wells was derived from precipitation and that the water has undergone some fractionation, possibly because of evaporation. Concentrations of organic compounds did not exceed any State or Federal water-quality standards. Few volatile organic compounds were detected in samples, whereas gasoline range organics, diesel range organics, and methane were detected most frequently. Concentrations of wastewater compounds did not exceed any State or Federal water-quality standards. The compounds N,N-diethyl-meta-toluamide (DEET), benzophenone, and phenanthrene were detected most frequently. Bacteria samples were collected, processed, incubated, and enumerated in the field or at the U.S. Geological Survey Wyoming-Montana Water Science Center. Total coliforms and Escherichia coli were detected in some samples.

Hybrid networks based on epoxidized camelina oil

PubMed Central

Balanuca, Brindusa; Stan, Raluca; Lungu, Adriana; Vasile, Eugeniu; Iovu, Horia

2017-01-01

Abstract Lately, renewable resources received great attention in the macromolecular compounds area, regarding the design of the monomers and polymers with different applications. In this study the capacity of several modified vegetable oil-based monomers to build competitive hybrid networks was investigate, taking into account thermal and mechanical behavior of the designed materials. In order to synthesize such competitive nanocomposites, the selected renewable raw material, camelina oil, was employed due to the non-toxicity and biodegradability behavior. General properties of epoxidized camelina oil-based materials were improved by loading of different types of organic-inorganic hybrid compounds – polyhedral oligomeric silsesquioxane (POSS) bearing one (POSS1Ep) or eight (POSS8Ep) epoxy rings on the cages. In order to identify the chemical changes occurring after the thermal curing reactions, FT-IR spectrometry was employed. The new synthesized nanocomposites based on epoxidized camelina oil (ECO) were characterized by dynamic mechanical analyze and thermogravimetric analyze. The morphology of the ECO-based materials was investigate by scanning electron microscopy and supplementary information regarding the presence of the POSS compounds were establish by energy dispersive X-ray analysis and X-ray photoelectron spectroscopy. The smooth materials without any separation phase indicates a well dispersion of the Si–O–Si cages within the organic matrix and the incorporation of this hybrid compounds into the ECO network demonstrates to be a well strategy to improve the thermal and mechanical properties, simultaneously. PMID:29491775

Rhodium-Catalyzed Boron Arylation of 1,2-Azaborines**

PubMed Central

Rudebusch, Gabriel E.; Zakharov, Lev N.; Liu, Shih-Yuan

2013-01-01

A Sn-phony in B! BN isosteres of biphenyl compounds are prepared through Rh-catalyzed cross-coupling between 2-chloro-1,2-azaborines and arylstannanes (see scheme). The synthetic method should enable investigations of structure–activity relationships (SARs) by expanding the chemical space of the pharmaceutically relevant biphenyl structure through BN/CC isosterism. PMID:23832871

Room-Temperature Fabricated Thin-Film Transistors Based on Compounds with Lanthanum and Main Family Element Boron.

PubMed

Xiao, Peng; Huang, Junhua; Dong, Ting; Xie, Jianing; Yuan, Jian; Luo, Dongxiang; Liu, Baiquan

2018-06-06

For the first time, compounds with lanthanum from the main family element Boron (LaB x ) were investigated as an active layer for thin-film transistors (TFTs). Detailed studies showed that the room-temperature fabricated LaB x thin film was in the crystalline state with a relatively narrow optical band gap of 2.28 eV. The atom ration of La/B was related to the working pressure during the sputtering process and the atom ration of La/B increased with the increase of the working pressure, which will result in the freer electrons in the LaB x thin film. LaB x -TFT without any intentionally annealing steps exhibited a saturation mobility of 0.44 cm²·V −1 ·s −1 , which is a subthreshold swing ( SS ) of 0.26 V/decade and a I on / I off ratio larger than 10⁴. The room-temperature process is attractive for its compatibility with almost all kinds of flexible substrates and the LaB x semiconductor may be a new choice for the channel materials in TFTs.

Discovering new materials and new phenomena with evolutionary algorithms

NASA Astrophysics Data System (ADS)

Oganov, Artem

Thanks to powerful evolutionary algorithms, in particular the USPEX method, it is now possible to predict both the stable compounds and their crystal structures at arbitrary conditions, given just the set of chemical elements. Recent developments include major increases of efficiency and extensions to low-dimensional systems and molecular crystals (which allowed large structures to be handled easily, e.g. Mg(BH4)2 and H2O-H2) and new techniques called evolutionary metadynamics and Mendelevian search. Some of the results that I will discuss include: 1. Theoretical and experimental evidence for a new partially ionic phase of boron, γ-B and an insulating and optically transparent form of sodium. 2. Predicted stability of ``impossible'' chemical compounds that become stable under pressure - e.g. Na3Cl, Na2Cl, Na3Cl2, NaCl3, NaCl7, Mg3O2 and MgO2. 3. Novel surface phases (e.g. boron surface reconstructions). 4. Novel dielectric polymers, and novel permanent magnets confirmed by experiment and ready for applications. 5. Prediction of new ultrahard materials and computational proof that diamond is the hardest possible material.

Spirocyclic character of ixazomib citrate revealed by comprehensive XRD, NMR and DFT study

NASA Astrophysics Data System (ADS)

Skorepova, Eliska; Čerňa, Igor; Vlasáková, Růžena; Zvoníček, Vít; Tkadlecová, Marcela; Dušek, Michal

2017-11-01

Ixazomib citrate is a very recently approved anti-cancer drug. Until now, to the best of our knowledge, no one has been able to solve any crystal structures of this compound. In this work, we present the crystal structures of two isostructural solvates of ixazomib citrate. In all currently available literature, the molecule is characterized as containing a single optically active carbon atom and a borate cycle formed when ixazomib is reacted with citric acid to form a stabilized ixazomib citrate that can be administered orally. However, the crystal structures revealed that none of the up-to-date presented structural formulas of ixazomib citrate are fully accurate. In addition to the citrate ring, another 5-membered ring is formed. These two rings are connected by the boron atom, making this compound a spirocyclic borate. By spirocyclization, the boron atom becomes tetrahedral and therefore optically active. In the crystal structures, ixazomib citrate was found to be in forms of two RR and RS stereoisomers. The results are supported by solid-state and solution NMR and DFT quantum mechanical calculations.

Potentiometric and NMR complexation studies of phenylboronic acid PBA and its aminophosphonate analog with selected catecholamines

NASA Astrophysics Data System (ADS)

Ptak, Tomasz; Młynarz, Piotr; Dobosz, Agnieszka; Rydzewska, Agata; Prokopowicz, Monika

2013-05-01

Boronic acids are a class of intensively explored compounds, which according to their specific properties have been intensively explored in last decades. Among them phenylboronic acids and their derivatives are most frequently examined as receptors for diverse carbohydrates. In turn, there is a large gap in basic research concerning complexation of catecholamines by these compounds. Therefore, we decided to undertake studies on interaction of chosen catecholamines, namely: noradrenaline (norephinephrine), dopamine, L-DOPA, DOPA-P (phosphonic analog of L-DOPA) and catechol, with simple phenyl boronic acid PBA by means of potentiometry and NMR spectroscopy. For comparison, the binding properties of recently synthesized phenylboronic receptor 1 bearing aminophosphonate function in meta-position were investigated and showed promising ability to bind catecholamines. The protonation and stability constants of PBA and receptor 1 complexes were examined by potentiometry. The obtained results demonstrated that PBA binds the catecholamines with the following affinity order: noradrenaline ⩾ dopamine ≈ L-DOPA > catechol > DOPA-P, while its modified analog 1 reveals slightly different preferences: dopamine > noradrenaline > catechol > L-DOPA > DOPA-P.

Synthesis, structure and characterization of two new organic template-directed gallium phosphate/phosphite-oxalates

NASA Astrophysics Data System (ADS)

Xue, Zhen-Zhen; Pan, Jie; Li, Jin-Hua; Wang, Zong-Hua; Wang, Guo-Ming

2017-06-01

Two new gallium phosphate/phosphite-oxalates hybrid solids, {[H2dmpip][Ga2(HPO4)2(PO4)(C2O4)0.5]·H2O} (1) and [H2apm][Ga2(H2PO3)2(HPO3)2(C2O4)] (2), where dmpip = 2,6-dimethyl-piperazine and apm = N-(3-aminopropyl)morpholine, have been synthesized and structurally characterized. Both of compounds 1 and 2 are formed by the connectivity of the Ga-based polyhedral, phosphite/phosphate groups as well as oxalate units. Compound 1 possesses a two-dimensional layer structure, in which the C2O4 units via an in-plane linkage connect two Ga center within the sheet. While in 2, the C2O4 units serve as bis-bidentates ligands bridging two GaO6 octahedra from two distinct gallium-phosphite chains to give rise to inorganic-organic hybrid layer with 8-membered rings. In these materials, the structure-directing amines reside in the interlayer region and interact with the layers by way of hydrogen-bonds.

Squeezing clathrate cages to host trivalent rare-earth guests

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

Wang, Jian; He, Yuping; Mordvinova, Natalia E.

Strike difference of the trivalent rare-earth cations from their alkali and alkaline-earth peers is in the presence of localized 4f-electrons and strong spin-orbit coupling. Placing trivalent rare-earth cations inside the fullerene molecules or in between the blocks of itinerant magnetic intermetallics gave rise to plethora of fascinating properties and materials. A long-time missing but hardly desired piece is the semiconducting or metallic compound where rare-earth cations are situated inside the oversized polyhedral cages of three-dimensional framework. In this work we present a synthesis of such compounds, rare-earth containing clathrates Ba 8-xR xCu 16P 30. The unambiguous proofs of their compositionmore » and crystal structure were achieved by a combination of synchrotron powder diffraction, time-of-flight neutron powder diffraction, scanning-transmission electron microscopy, and electron energy-loss spectroscopy. Our quantum-mechanical calculations and experimental characterizations show that the incorporation of the rare-earth cations significantly enhances the hole mobility and concentration which results in the drastic increase in the thermoelectric performance.« less

Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization

DOE PAGES

Zhao, Pei; Mangir Murshed, M.; Huq, Ashfia; ...

2015-02-19

Here we report on a novel compound Li 3AsW 7O 25 obtained by solid-state reaction and characterized by diffraction and spectroscopic methods. The bronze-type compound crystallizes in the orthorhombic space group Pbca with a=724.38(3) pm, b=1008.15(4) pm, c=4906.16(17) pm and Z=8. The structure is built up by chains of WO 6 octahedra interconnected by AsO 4 tetrahedra and WO 6 octahedra forming a polyhedral arrangement as seen in intergrowth tungsten bronzes. The X-ray single crystal structure refinement allows solving the complex arsenotungstate framework. The powder neutron diffraction data analysis locates the lithium atoms. Thermal analysis showed that Li 3AsW 7Omore » 25 is stable up to its melting at 1135(3) K followed by a decomposition at 1182(5) K. Finally, the Kubelka-Munk treatment of the UV-vis spectrum revealed a wide band gap in the range of 2.84-3.40 eV depending on the presumed electron transition type.« less

Synthesis and Evaluation of Aryl Boronic Acids as Fluorescent Artificial Receptors for Biological Carbohydrates

PubMed Central

Craig, Sandra

2011-01-01

Carbohydrates in various forms play a vital role in numerous critical biological processes. The detection of such saccharides can give insight into the progression of such diseases such as cancer. Boronic acids react with 1,2 and 1,3 diols of saccharides in non-aqueous or basic aqueous media. Herein, we describe the design, synthesis and evaluation of three bisboronic acid fluorescent probes, each having about ten linear steps in its synthesis. Among these compounds that were evaluated, 9b was shown to selectively label HepG2, liver carcinoma cell line within a concentration range of 0.5–10 μM in comparison to COS-7, a normal fibroblast cell line. PMID:22177855

Nucleation Control for Large, Single Crystalline Domains of Monolayer Hexagonal Boron Nitride via Si-Doped Fe Catalysts

PubMed Central

2015-01-01

The scalable chemical vapor deposition of monolayer hexagonal boron nitride (h-BN) single crystals, with lateral dimensions of ∼0.3 mm, and of continuous h-BN monolayer films with large domain sizes (>25 μm) is demonstrated via an admixture of Si to Fe catalyst films. A simple thin-film Fe/SiO2/Si catalyst system is used to show that controlled Si diffusion into the Fe catalyst allows exclusive nucleation of monolayer h-BN with very low nucleation densities upon exposure to undiluted borazine. Our systematic in situ and ex situ characterization of this catalyst system establishes a basis for further rational catalyst design for compound 2D materials. PMID:25664483

Investigation of prototypal MOFs consisting of polyhedral cages with accessible Lewis-acid sites for quinoline synthesis.

PubMed

Gao, Wen-Yang; Leng, Kunyue; Cash, Lindsay; Chrzanowski, Matthew; Stackhouse, Chavis A; Sun, Yinyong; Ma, Shengqian

2015-03-21

A series of prototypal metal-organic frameworks (MOFs) consisting of polyhedral cages with accessible Lewis-acid sites, have been systematically investigated for Friedländer annulation reaction, a straightforward approach to synthesizing quinoline and its derivatives. Amongst them MMCF-2 demonstrates significantly enhanced catalytic activity compared with the benchmark MOFs, HKUST-1 and MOF-505, as a result of a high-density of accessible Cu(II) Lewis acid sites and large window size in the cuboctahedral cage-based nanoreactor of MMCF-2.

Disruption of motor behavior and injury to the CNS induced by 3-thienylboronic acid in mice

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

Farfán-García, E.D.; Pérez-Rodríguez, M.

The scarcity of studies on boron containing compounds (BCC) in the medicinal field is gradually being remedied. Efforts have been made to explore the effects of BCCs due to the properties that boron confers to molecules. Research has shown that the safety of some BCCs is similar to that found for boron-free compounds (judging from the acute toxicological evaluation). However, it has been observed that the administration of 3-thienylboronic acid (3TB) induced motor disruption in CD1 mice. In the current contribution we studied in deeper form the disruption of motor performance produced by the intraperitoneal administration of 3TB in micemore » from two strains (CD1 and C57BL6). Disruption of motor activity was dependent not only on the dose of 3TB administered, but also on the DMSO concentration in the vehicle. The ability of 3TB to enter the Central Nervous System (CNS) was evidenced by Raman spectroscopy as well as morphological effects on the CNS, such as loss of neurons yielding biased injury to the substantia nigra and striatum at doses ≥ 200 mg/kg, and involving granular cell damage at doses of 400 mg/kg but less injury in the motor cortex. Our work acquaints about the use of this compound in drug design, but the interesting profile as neurotoxic agent invite us to study it regarding the damage on the motor system. - Highlights: • Intraperitoneal 3-thienylboronic acid (3TB) induces tremor in CD1 or C57BL6 mice. • Injury on CNS as well as motor disruption is dose-dependent. • Damage is greater in basal ganglia than in cerebellum or motor cortex. • The DMSO as vehicle plays a key role in the induced effect. • Motor disruption seems to involve basal ganglia and cerebellum damage.« less

Biological effect of fluoride on plants

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

Collet, G.F.

1969-10-01

The action of several fluorine compounds was studied by means of hydroponics. Seedlings of several species were used. In leaves of Prunus armeniaca, a good correlation between the extent of necrosis and the leaf's total fluorine content was noted. Boron plays a spectacular role as it enhances the expected fluorine accumulation. Similar results were obtained with other plant material, an observation which suggests that this phenomenon is universal in plant life. Fluorine accumulation and leaf damage due to fluorine depend upon the chemical nature of the fluorine compound. 11 references, 3 figures, 2 tables.

Flow chemistry as a discovery tool to access sp2-sp3 cross-coupling reactions via diazo compounds.

PubMed

Tran, Duc N; Battilocchio, Claudio; Lou, Shing-Bong; Hawkins, Joel M; Ley, Steven V

2015-02-01

The work takes advantage of an important feature of flow chemistry, whereby the generation of a transient species (or reactive intermediate) can be followed by a transfer step into another chemical environment, before the intermediate is reacted with a coupling partner. This concept is successfully applied to achieve a room temperature sp 2 -sp 3 cross coupling of boronic acids with diazo compounds, these latter species being generated from hydrazones under flow conditions using MnO 2 as the oxidant.

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.

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.

Ultrathin-shell boron nitride hollow spheres as sorbent for dispersive solid-phase extraction of polychlorinated biphenyls from environmental water samples.

PubMed

Fu, Meizhen; Xing, Hanzhu; Chen, Xiangfeng; Chen, Fan; Wu, Chi-Man Lawrence; Zhao, Rusong; Cheng, Chuange

2014-11-21

Boron nitride hollow spheres with ultrathin-shells were synthesized and used as sorbents for dispersive solid-phase extraction of aromatic pollutants at trace levels from environmental water samples. Polychlorinated biphenyls (PCBs) were selected as target compounds. Sample quantification and detection were performed by gas chromatography-tandem mass spectrometry. Extraction parameters influencing the extraction efficiency were optimized through response surface methodology using the Box-Behnken design. The proposed method achieved good linearity within the concentration range of 0.15-250 ng L(-1) PCBs, low limits of detection (0.04-0.09 ng L(-1), S/N=3:1), good repeatability of the extractions (relative standard deviation, <12%, n=6), and satisfactory recoveries between 84.9% and 101.0% under optimal conditions. Real environmental samples collected from rivers, local lakes, rain and spring waters were analyzed using the developed method. Results demonstrated that the hexagonal boron nitride-based material has significant potential as a sorbent for organic pollutant extraction from environmental water samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Bis(pinacolato)diboron as an additive for the detection of thermal neutrons in plastic scintillators

NASA Astrophysics Data System (ADS)

Mahl, Adam; Yemam, Henok A.; Stuntz, John; Remedes, Tyler; Sellinger, Alan; Greife, Uwe

2016-04-01

A readily available and inexpensive boron compound was tested as an additive for the detection of thermal neutrons in plastic scintillators. Bis(pinacolato)diboron (B2Pin2) was determined to be a compatible boron source (8.51 wt% boron, 1.70 wt% 10B) in poly(vinyltoluene) based matrices. Plastic scintillator blends of 1-20 wt% 2,5-diphenyloxazole (PPO), 0.1 wt% 1,4-bis(5-phenyloxazol-2-yl) benzene (POPOP) and 1-15 wt% B2Pin2 were prepared that provided optical clarity, good mechanical properties, and the capability of thermal neutron detection. Independent of B2Pin2 concentration, strong 10B neutron capture signals around 90 keVee were observed at essentially constant light output. Increasing PPO concentration allowed for the use of pulse shape discrimination (PSD) in both fast and thermal neutron detection. High PPO concentrations appear to cause additional alpha quenching that affected the 10B neutron capture signal. Aging effects after storage in air for several months were observed, which led to degradation of performance and in some samples of mechanical stability.

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.

Excitation and emission wavelength ratiometric cyanide-sensitive probes for physiological sensing.

PubMed

Badugu, Ramachandram; Lakowicz, Joseph R; Geddes, Chris D

2004-04-01

We characterize three new fluorescent probes that show both spectral shifts and intensity changes in the presence of aqueous cyanide, allowing for both excitation and fluorescence emission wavelength ratiometric and colorimetric sensing. The relatively high binding constants of the probes for cyanide enables a distinct colorimetric change to be visually observed with as little as 10 microM cyanide. The response of the new probes is based on the ability of the boronic acid group to interact with the CN(-) anion, changing from the neutral form of the boronic acid group R-B(OH)(2) to the anionic R-B(-)(OH)3 form, which is an electron-donating group. The presence of an electron-deficient quaternary heterocyclic nitrogen center and a strong electron-donating amino group in the 6 position on the quinolinium backbone provides for the spectral changes observed upon CN(-) complexation. We have determined the binding constants for the ortho-, meta-, and para-boronic acid probes to be 0.12, 0.17, and 0.14 microM(-3). In addition we have synthesized a control compound that does not contain the boronic acid moiety, allowing for structural comparisons and a rationale for the sensing mechanism to be made. Finally we show that the affinity for monosaccharides, such as glucose or fructose, is relatively low as compared to that for cyanide, enabling the potential detection of cyanide in physiologies up to lethal levels.

Covalent docking of selected boron-based serine beta-lactamase inhibitors

NASA Astrophysics Data System (ADS)

Sgrignani, Jacopo; Novati, Beatrice; Colombo, Giorgio; Grazioso, Giovanni

2015-05-01

AmpC β-lactamase is a hydrolytic enzyme conferring resistance to β-lactam antibiotics in multiple Gram-negative bacteria. Therefore, identification of non-β-lactam compounds able to inhibit the enzyme is crucial for the development of novel antibacterial therapies. In general, AmpC inhibitors have to engage the highly solvent-exposed catalytic site of the enzyme. Therefore, understanding the implications of ligand-protein induced-fit and water-mediated interactions behind the inhibitor-enzyme recognition process is fundamental for undertaking structure-based drug design process. Here, we focus on boronic acids, a promising class of beta-lactamase covalent inhibitors. First, we optimized a docking protocol able to reproduce the experimentally determined binding mode of AmpC inhibitors bearing a boronic group. This goal was pursued (1) performing rigid and flexible docking calculations aiming to establish the role of the side chain conformations; and (2) investigating the role of specific water molecules in shaping the enzyme active site and mediating ligand protein interactions. Our calculations showed that some water molecules, conserved in the majority of the considered X-ray structures, are needed to correctly predict the binding pose of known covalent AmpC inhibitors. On this basis, we formalized our findings in a docking and scoring protocol that could be useful for the structure-based design of new boronic acid AmpC inhibitors.

The effects of dietary boron compounds in supplemented diet on hormonal activity and some biochemical parameters in rats.

PubMed

Kucukkurt, Ismail; Akbel, Erten; Karabag, Funda; Ince, Sinan

2015-03-01

The aims of this study were to clarify the effects of dietary boric acid or borax, as a boron (B) source, on hormonal status (leptin, insulin, triiodothyronine (T3), and thyroxine) and some biochemical parameter levels as glucose, carnitine, nonesterified fatty acids, and betahydroxybutyric acid in rats. A total of 30 Sprague-Dawley male rats were divided into three equal groups: the animals in the first group (control) were fed with a standard rodent diet containing 6.4 mg B/kg, and the animals in the experimental group were fed with a standard rodent diet added with boric acid and borax (100 mg B/kg) throughout the experimental period of 28 days. The B compounds especially borax decreased leptin, insulin, and glucose levels, whereas increased T3 and carnitine levels in plasma. In addition, body weight of rats was found to be low in the boric acid group at the end of 4 weeks. Consequently, our results demonstrate that B supplementation (100 mg/kg) in diet decreases body weight, leptin, and insulin, whereas increases T3 levels in plasma, so enhances the metabolic activity of rats. Between the B compounds used in this study, it was found that borax had a greater effect on hormonal status than boric acid. © The Author(s) 2012.

Selective synthesis of turbostratic polyhedral carbon nano-onions by arc discharge in water.

PubMed

Alessandro, F; Scarcello, A; Basantes Valverde, M D; Coello Fiallos, D C; Osman, S M; Cupolillo, A; Arias, M; Arias de Fuentes, O; De Luca, G; Aloise, A; Curcio, E; Nicotra, G; Spinella, C; Caputi, L S

2018-08-10

Carbon nano-onions (CNOs), in their spherical or polyhedral forms, represent an important class of nanomaterials, due to their peculiar physical and electrochemical properties. Among the different methods of production, arc discharge between graphite electrodes sustained by deionized water is one of the most promising to obtain good quality CNOs in gram quantities. We applied the method with the aim to optimize the production of CNOs, using an innovative experimental arrangement. The discharges generate dispersed nanomaterials and a black hard cathodic deposit, which were studied by transmission electron microscopy-high-resolution TEM, scanning electron microscopy, Raman, thermogravimetric analysis and energy-dispersive x-ray spectroscopy. A simple mechanical grinding of the deposits permitted us to obtain turbostratic polyhedral CNOs that exhibited higher stability towards burning in air, compared to CNOs found in water. We propose a mechanism for the formation of the CNOs present in the deposit, in which the crystallization is driven by a strong temperature gradient existing close to the cathode surface at the beginning of the process, and subsequently close to the deposit surface whenever it is growing.

An Origami Approximation to the Cosmic Web

NASA Astrophysics Data System (ADS)

Neyrinck, Mark C.

2016-10-01

The powerful Lagrangian view of structure formation was essentially introduced to cosmology by Zel'dovich. In the current cosmological paradigm, a dark-matter-sheet 3D manifold, inhabiting 6D position-velocity phase space, was flat (with vanishing velocity) at the big bang. Afterward, gravity stretched and bunched the sheet together in different places, forming a cosmic web when projected to the position coordinates. Here, I explain some properties of an origami approximation, in which the sheet does not stretch or contract (an assumption that is false in general), but is allowed to fold. Even without stretching, the sheet can form an idealized cosmic web, with convex polyhedral voids separated by straight walls and filaments, joined by convex polyhedral nodes. The nodes form in `polygonal' or `polyhedral' collapse, somewhat like spherical/ellipsoidal collapse, except incorporating simultaneous filament and wall formation. The origami approximation allows phase-space geometries of nodes, filaments, and walls to be more easily understood, and may aid in understanding spin correlations between nearby galaxies. This contribution explores kinematic origami-approximation models giving velocity fields for the first time.

Validation and Comparison of the Therapeutic Efficacy of Boron Neutron Capture Therapy Mediated By Boron-Rich Liposomes in Multiple Murine Tumor Models

DOE PAGES

Maitz, Charles A.; Khan, Aslam A.; Kueffer, Peter J.; ...

2017-08-01

Boron neutron capture therapy (BNCT) was performed at the University of Missouri Research Reactor in mice bearing CT26 colon carcinoma flank tumors and the results were compared with previously performed studies with mice bearing EMT6 breast cancer flank tumors. We implanted mice with CT26 tumors subcutaneously in the caudal flank and were given two separate tail vein injections of unilamellar liposomes composed of cholesterol, 1,2-distearoyl-sn-glycer-3-phosphocholine, and K[nido-7-CH 3(CH 2) 15–7,8-C 2B 9H 11] in the lipid bilayer and encapsulated Na 3[1-(2`-B 10H 9)-2-NH 3B 10H 8] within the liposomal core. Mice were irradiated 30 hours after the second injection inmore » a thermal neutron beam for various lengths of time. The tumor size was monitored daily for 72 days. In spite of relatively lower tumor boron concentrations, as compared to EMT6 tumors, a 45 minute neutron irradiation BNCT resulted in complete resolution of the tumors in 50% of treated mice, 50% of which never recurred. Median time to tumor volume tripling was 38 days in BNCT treated mice, 17 days in neutron-irradiated mice given no boron compounds, and 4 days in untreated controls. Tumor response in mice with CT26 colon carcinoma was markedly more pronounced than in previous reports of mice with EMT6 tumors, a difference which increased with dose. The slope of the dose response curve of CT26 colon carcinoma tumors is 1.05 times tumor growth delay per Gy compared to 0.09 times tumor growth delay per Gy for EMT6 tumors, indicating that inherent radiosensitivity of tumors plays a role in boron neutron capture therapy and should be considered in the development of clinical applications of BNCT in animals and man.« less

Validation and Comparison of the Therapeutic Efficacy of Boron Neutron Capture Therapy Mediated By Boron-Rich Liposomes in Multiple Murine Tumor Models

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

Maitz, Charles A.; Khan, Aslam A.; Kueffer, Peter J.

Boron neutron capture therapy (BNCT) was performed at the University of Missouri Research Reactor in mice bearing CT26 colon carcinoma flank tumors and the results were compared with previously performed studies with mice bearing EMT6 breast cancer flank tumors. We implanted mice with CT26 tumors subcutaneously in the caudal flank and were given two separate tail vein injections of unilamellar liposomes composed of cholesterol, 1,2-distearoyl-sn-glycer-3-phosphocholine, and K[nido-7-CH 3(CH 2) 15–7,8-C 2B 9H 11] in the lipid bilayer and encapsulated Na 3[1-(2`-B 10H 9)-2-NH 3B 10H 8] within the liposomal core. Mice were irradiated 30 hours after the second injection inmore » a thermal neutron beam for various lengths of time. The tumor size was monitored daily for 72 days. In spite of relatively lower tumor boron concentrations, as compared to EMT6 tumors, a 45 minute neutron irradiation BNCT resulted in complete resolution of the tumors in 50% of treated mice, 50% of which never recurred. Median time to tumor volume tripling was 38 days in BNCT treated mice, 17 days in neutron-irradiated mice given no boron compounds, and 4 days in untreated controls. Tumor response in mice with CT26 colon carcinoma was markedly more pronounced than in previous reports of mice with EMT6 tumors, a difference which increased with dose. The slope of the dose response curve of CT26 colon carcinoma tumors is 1.05 times tumor growth delay per Gy compared to 0.09 times tumor growth delay per Gy for EMT6 tumors, indicating that inherent radiosensitivity of tumors plays a role in boron neutron capture therapy and should be considered in the development of clinical applications of BNCT in animals and man.« less

Surface functionalization of WS2 fullerene-like nanoparticles.

PubMed

Shahar, Chen; Zbaida, David; Rapoport, Lev; Cohen, Hagai; Bendikov, Tatyana; Tannous, Johny; Dassenoy, Fabrice; Tenne, Reshef

2010-03-16

WS(2) belongs to a family of layered metal dichalcogenide compounds that are known to form cylindrical (inorganic nanotubes-INT) and polyhedral nanostructures--onion or nested fullerene-like (IF) particles. The outermost layers of these IF nanoparticles can be peeled under shear stress, thus IF nanoparticles have been studied for their use as solid lubricants. However, the IF nanoparticles tend to agglomerate, presumably because of surface structural defects induced by elastic strain and curvature, a fact that has a deleterious effect on their tribological properties. In the present work, chemical modification of the IF-WS(2) surface with alkyl-silane molecules is reported. The surface-modified IF nanoparticles display improved dispersion in oil-based suspensions. The alkyl-silane coating reduces the IF-WS(2) nanoparticles' tendency to agglomerate and consequently improves the long-term tribological behavior of oil formulated with the IF additive.

Polyhedral Oligomeric Silsesquioxane (POSS)-Containing Polymer Nanocomposites

PubMed Central

Ayandele, Ebunoluwa; Sarkar, Biswajit; Alexandridis, Paschalis

2012-01-01

Hybrid materials with superior structural and functional properties can be obtained by incorporating nanofillers into polymer matrices. Polyhedral oligomeric silsesquioxane (POSS) nanoparticles have attracted much attention recently due to their nanometer size, the ease of which these particles can be incorporated into polymeric materials and the unique capability to reinforce polymers. We review here the state of POSS-containing polymer nanocomposites. We discuss the influence of the incorporation of POSS into polymer matrices via chemical cross-linking or physical blending on the structure of nanocomposites, as affected by surface functional groups, and the POSS concentration. PMID:28348318

A New Star-shaped Carbazole Derivative with Polyhedral Oligomeric Silsesquioxane Core: Crystal Structure and Unique Photoluminescence Property.

PubMed

Xu, Zixuan; Yu, Tianzhi; Zhao, Yuling; Zhang, Hui; Zhao, Guoyun; Li, Jianfeng; Chai, Lanqin

2016-01-01

A new inorganic–organic hybrid material based on polyhedral oligomeric silsesquioxane (POSS) capped with carbazolyl substituents, octakis[3-(carbazol-9-yl)propyldimethylsiloxy]-silsesquioxane (POSS-8Cz), was successfully synthesized and characterized. The X-ray crystal structure of POSS-8Cz were described. The photophysical properties of POSS-8Cz were investigated by using UV–vis,photoluminescence spectroscopic analysis. The hybrid material exhibits blue emission in the solution and the solid film.The morphology and thermal stablity properties were measured by X-ray diffraction (XRD) and TG-DTA analysis.

Generalizations of Tikhonov's regularized method of least squares to non-Euclidean vector norms

NASA Astrophysics Data System (ADS)

Volkov, V. V.; Erokhin, V. I.; Kakaev, V. V.; Onufrei, A. Yu.

2017-09-01

Tikhonov's regularized method of least squares and its generalizations to non-Euclidean norms, including polyhedral, are considered. The regularized method of least squares is reduced to mathematical programming problems obtained by "instrumental" generalizations of the Tikhonov lemma on the minimal (in a certain norm) solution of a system of linear algebraic equations with respect to an unknown matrix. Further studies are needed for problems concerning the development of methods and algorithms for solving reduced mathematical programming problems in which the objective functions and admissible domains are constructed using polyhedral vector norms.

First Evidence on the Role of Heavy Ion Irradiation of Meteorites and Formamide in the Origin of Biomolecules

NASA Astrophysics Data System (ADS)

Saladino, Raffaele; Carota, Eleonora; Botta, Giorgia; Kapralov, Michail; Timoshenko, Gennady N.; Rozanov, Alexei; Krasavin, Eugene; Di Mauro, Ernesto

2016-11-01

Formamide (NH2CHO) has been irradiated in condensed phase at 273 K by 11B-boron beams in the presence of powdered meteorites of the chondrite and stony-iron types. Relative to the controls (no radiation or no catalysis), a variegate panel of compounds was observed, including purine and pyrimidine nucleobases (uracil, cytosine, adenine, and guanine), nucleobase analogues, heterocycles, and carboxylic acids involved in metabolic pathways. The presence of amino imidazole carbonitrile (AICN), 4,6-diamino purine (4,6-DAP) and 2,4-diamino pyrimidine (2,4-DAPy) among the observed products suggests the occurrence of an unified mechanism based on the generation of radical cyanide species (•CN). These observations contribute to outline plausible prebiotic scenarios involving 11B-boron as energy source.

Boron promotes streptozotocin-induced diabetic wound healing: roles in cell proliferation and migration, growth factor expression, and inflammation.

PubMed

Demirci, Selami; Doğan, Ayşegül; Aydın, Safa; Dülger, Esra Çikler; Şahin, Fikrettin

2016-06-01

Acute wounds do not generally require professional treatment modalities and heal in a predictable fashion, but chronic wounds are mainly accompanied with infection and prolonged inflammation, leading to healing impairments and continuous tissue degradation. Although a vast amount of products have been introduced in the market, claiming to provide a better optimization of local and systemic conditions of patients, they do not meet the expectations due to being expensive and not easily accessible, requiring wound care facilities, having patient-specific response, low efficiency, and severe side-effects. In this sense, developing new, safe, self-applicable, effective, and cheap wound care products with broad-range antimicrobial activity is still an attractive area of international research. In the present work, boron derivatives [boric acid and sodium pentaborate pentahydrate (NaB)] were evaluated for their antimicrobial activity, proliferation, migratory, angiogenesis, gene, and growth factor expression promoting effects on dermal cells in vitro. In addition, boron-containing hydrogel formulation was examined for its wound healing promoting potential using full-thickness wound model in streptozotocin-induced diabetic rats. The results revealed that while both boron compounds significantly increased proliferation, migration, vital growth factor, and gene expression levels of dermal cells along with displaying remarkable antimicrobial effects against bacteria, yeast, and fungi, NaB displayed greater antimicrobial properties as well as gene and growth factor expression inductive effects. Animal studies proved that NaB-containing gel formulation enhanced wound healing rate of diabetic animals and histopathological scores. Overall data suggest a potential promising therapeutic option for the management of chronic wounds but further studies are highly warranted to determine signaling pathways and target metabolisms in which boron is involved to elucidate the limitations and extend its use in clinics.

Boronic Acid Transition State Inhibitors Active against KPC and Other Class A β-Lactamases: Structure-Activity Relationships as a Guide to Inhibitor Design

PubMed Central

Rojas, Laura J.; Taracila, Magdalena A.; Papp-Wallace, Krisztina M.; Bethel, Christopher R.; Caselli, Emilia; Romagnoli, Chiara; Winkler, Marisa L.; Spellberg, Brad; Prati, Fabio

2016-01-01

Boronic acid transition state inhibitors (BATSIs) are competitive, reversible β-lactamase inhibitors (BLIs). In this study, a series of BATSIs with selectively modified regions (R1, R2, and amide group) were strategically designed and tested against representative class A β-lactamases of Klebsiella pneumoniae, KPC-2 and SHV-1. Firstly, the R1 group of compounds 1a to 1c and 2a to 2e mimicked the side chain of cephalothin, whereas for compounds 3a to 3c, 4a, and 4b, the thiophene ring was replaced by a phenyl, typical of benzylpenicillin. Secondly, variations in the R2 groups which included substituted aryl side chains (compounds 1a, 1b, 1c, 3a, 3b, and 3c) and triazole groups (compounds 2a to 2e) were chosen to mimic the thiazolidine and dihydrothiazine ring of penicillins and cephalosporins, respectively. Thirdly, the amide backbone of the BATSI, which corresponds to the amide at C-6 or C-7 of β-lactams, was also changed to the following bioisosteric groups: urea (compound 3b), thiourea (compound 3c), and sulfonamide (compounds 4a and 4b). Among the compounds that inhibited KPC-2 and SHV-1 β-lactamases, nine possessed 50% inhibitory concentrations (IC50s) of ≤600 nM. The most active compounds contained the thiopheneacetyl group at R1 and for the chiral BATSIs, a carboxy- or hydroxy-substituted aryl group at R2. The most active sulfonamido derivative, compound 4b, lacked an R2 group. Compound 2b (S02030) was the most active, with acylation rates (k2/K) of 1.2 ± 0.2 × 104 M−1 s−1 for KPC-2 and 4.7 ± 0.6 × 103 M−1 s−1 for SHV-1, and demonstrated antimicrobial activity against Escherichia coli DH10B carrying blaSHV variants and blaKPC-2 or blaKPC-3 and against clinical strains of Klebsiella pneumoniae and E. coli producing different class A β-lactamase genes. At most, MICs decreased from 16 to 0.5 mg/liter. PMID:26729496

Formation of the Fe-Containing Intermetallic Compounds during Solidification of Al-5Mg-2Si-0.7Mn-1.1Fe Alloy

NASA Astrophysics Data System (ADS)

Que, Zhongping; Wang, Yun; Fan, Zhongyun

2018-06-01

Iron (Fe) is the most common and the most detrimental impurity element in Al alloys due to the formation of Fe-containing intermetallic compounds (IMCs), which are harmful to mechanical performance of the Al-alloy components. In this paper we investigate the formation of Fe-containing IMCs during solidification of an Al-5Mg-2Si-0.7Mn-1.1Fe alloy under varied solidification conditions. We found that the primary Fe-containing intermetallic compound (P-IMC) in the alloy is the BCC α-Al15(Fe,Mn)3Si2 phase and has a polyhedral morphology with {1 1 0} surface termination. The formation of the P-IMCs can be easily suppressed by increasing the melt superheat and/or cooling rate, suggesting that the nucleation of the α-Al15(Fe,Mn)3Si2 phase is difficult. In addition, we found that the IMCs with a Chinese script morphology is initiated on the {1 0 0} surfaces of the P-IMCs during the binary eutectic reaction with the α-Al phase. Both the binary and ternary eutectic IMCs are also identified as the BCC α-Al15(Fe,Mn)3Si2 phase. Furthermore, we found that the Fe content increases and the Mn content decreases in the Fe-containing intermetallic compounds with the decrease of the formation temperature, although the sum of the Fe and Mn contents in all of the IMCs is constant.

Novel phosphate halides BaMn{sup III}[PO{sub 4}]FCl and BaMn{sup III}[PO{sub 4}]F{sub 2}: Effects of mixed halides on crystal structures and magnetic properties

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

Pei, Da-Ting, E-mail: pdtcug@gmail.com; Sun, Wei, E-mail: 421221789@qq.com; Department of Geological Sciences, University of Saskatchewan, 114 Science Place, Saskatoon, Canada SK S7N 5E2

2016-02-15

Two new phosphate halides BaMn{sup III}[PO{sub 4}]FCl (1) and BaMn{sup III}[PO{sub 4}]F{sub 2} (2), have been synthesized under hydrothermal conditions. Structural characterizations show that both new compounds adopt layered structures but with different polyhedral linkages. Introduction of Cl into Compound (1) results in isolated hemimorphic [MnO{sub 4}FCl] octahedra, different from the chain of [MnO{sub 4}F{sub 2}]/[MnO{sub 2}F{sub 4}] octahedra in Compound (2). These compounds have significantly different molecular vibration modes and thermal stabilities. Magnetic measurements reveal that Compound (2) has larger antiferromagnetic interactions than Compound (1), because the former has strong interactions between Mn{sup 3+}-Mn{sup 3+} ions within corner-shared Mn{supmore » 3+}-octahedral chains whereas the latter only possesses isolated Mn{sup 3+}-octahedra. Both compounds transform to a new orthorhombic compound BaMn{sup II}(PO{sub 4})F (3) after thermal decomposition. - Graphical abstract: The large radius of Cl{sup -} ions makesBaMn{sup III}[PO{sub 4}]FCl to adopt isolated [MnO{sub 4}FCl] rather than corner-sharing octahedra as observed in BaMn{sup III}[PO{sub 4}]F{sub 2}. - Highlights: • Two novel phosphate halides BaMn[PO{sub 4}]FCl and BaMn[PO{sub 4}]F{sub 2} have been prepared. • These new compounds adopt different types of layered structures. • They have different molecular vibration modes and thermal stabilities. • BaMn[PO{sub 4}]FCl has weaker antiferromagnetic interactions than BaMn[PO{sub 4}]F{sub 2}. • The former adopts isolated octahedra whereas the latter adopts octahedral chains.« less

Negative thermal expansion correlated with polyhedral movements and distortions in orthorhombic Y{sub 2}Mo{sub 3}O{sub 12}

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

Wang, Lei; Wang, Fei; Yuan, Peng-Fei

Graphical abstract: Our work confirms the negative thermal expansion (NTE) behavior of the orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} in this range 0–1000 K. The orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} has an open framework structure where MoO{sub 4} tetrahedra and YO{sub 6} octahedra are connected by oxygen atoms. The previous mechanisms for the NTE behavior of orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} are that the translational mode (see (b)) of the O bridge atoms in Y-O-Mo linkages will cause the linkages to be bent, reducing the space between polyhedra and making the volumetric shrinkage. Furthermore, the internal polyhedral distortions have been reportedmore » experimentally. It is necessary to reveal the relationship between NTE and polyhedral movements, distortions. From the vibrational properties, we get that the different vibrational eigenvectors of oxygen atoms relative to Y or Mo atoms can lead internal polyhedra to distort unevenly (see (c)). Herein, an extended 3D model of the connected unit YO{sub 6}-MoO{sub 4} based on the Y-O-Mo linkage is proposed (see (a)). It presents a simultaneous dynamic process, i.e. the YO{sub 6} octahedra and MoO{sub 4} tetrahedra distort unevenly, along with both polyhedra being closer which makes the volumetric contraction. This model is helpful to improve the mechanisms of NTE and may be applied in the whole A{sub 2}M{sub 3}O{sub 12} family. - Highlights: • The NTE properties of Y{sub 2}Mo{sub 3}O{sub 12} are confirmed using a first-principles calculation. • The optical branch with the lowest frequency is most responsible for the NTE. • The relationship between NTE and polyhedral movements, distortions is elucidated. • An extended 3D model of the connected unit YO{sub 6}-MoO{sub 4} is proposed. - Abstract: The internal polyhedral distortions have been reported experimentally in orthorhombic Y{sub 2}Mo{sub 3}O{sub 12} as a negative thermal expansion (NTE) material. To reveal the relationship between NTE and polyhedral movements, distortions, the vibrational properties of Y{sub 2}Mo{sub 3}O{sub 12} have been studied using first-principles calculations. The lowest optical branch corresponding to translational mode of the O bridge atom in Y-O-Mo linkage has the largest negative Grüneisen parameter and therefore contributes most to the NTE behavior. The different vibrational eigenvectors of oxygen atoms relative to Y or Mo atoms can cause internal polyhedral to distort unevenly. Herein, an extended 3D model of the connected unit YO{sub 6}-MoO{sub 4} based on the Y-O-Mo linkage presents a simultaneous dynamic process, i.e. the YO{sub 6} octahedra and MoO{sub 4} tetrahedra distort unevenly, along with both polyhedra being closer which makes the volumetric contraction. This model is helpful to improve the mechanisms of NTE and may be applied in the whole A{sub 2}M{sub 3}O{sub 12} family.« less

Proceedings of the first international symposium on neutron capture therapy

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

Fairchild, R.G.; Brownell, G.L.

This meeting was arranged jointly by MIT and BNL in order to illuminate progress in the synthesis and targeting of boron compounds and to evaluate and document progress in radiobiological and dosimetric aspects of neutron capture therapy. It is hoped that this meeting will facilitate transfer of information between groups working in these fields, and encourage synergistic collaboration.

Microdosimetric Modeling of Biological Effectiveness for Boron Neutron Capture Therapy Considering Intra- and Intercellular Heterogeneity in 10B Distribution.

PubMed

Sato, Tatsuhiko; Masunaga, Shin-Ichiro; Kumada, Hiroaki; Hamada, Nobuyuki

2018-01-17

We here propose a new model for estimating the biological effectiveness for boron neutron capture therapy (BNCT) considering intra- and intercellular heterogeneity in 10 B distribution. The new model was developed from our previously established stochastic microdosimetric kinetic model that determines the surviving fraction of cells irradiated with any radiations. In the model, the probability density of the absorbed doses in microscopic scales is the fundamental physical index for characterizing the radiation fields. A new computational method was established to determine the probability density for application to BNCT using the Particle and Heavy Ion Transport code System PHITS. The parameters used in the model were determined from the measured surviving fraction of tumor cells administrated with two kinds of 10 B compounds. The model quantitatively highlighted the indispensable need to consider the synergetic effect and the dose dependence of the biological effectiveness in the estimate of the therapeutic effect of BNCT. The model can predict the biological effectiveness of newly developed 10 B compounds based on their intra- and intercellular distributions, and thus, it can play important roles not only in treatment planning but also in drug discovery research for future BNCT.

Polyhedral meshing in numerical analysis of conjugate heat transfer

NASA Astrophysics Data System (ADS)

Sosnowski, Marcin; Krzywanski, Jaroslaw; Grabowska, Karolina; Gnatowska, Renata

2018-06-01

Computational methods have been widely applied in conjugate heat transfer analysis. The very first and crucial step in such research is the meshing process which consists in dividing the analysed geometry into numerous small control volumes (cells). In Computational Fluid Dynamics (CFD) applications it is desirable to use the hexahedral cells as the resulting mesh is characterized by low numerical diffusion. Unfortunately generating such mesh can be a very time-consuming task and in case of complicated geometry - it may not be possible to generate cells of good quality. Therefore tetrahedral cells have been implemented into commercial pre-processors. Their advantage is the ease of its generation even in case of very complex geometry. On the other hand tetrahedrons cannot be stretched excessively without decreasing the mesh quality factor, so significantly larger number of cells has to be used in comparison to hexahedral mesh in order to achieve a reasonable accuracy. Moreover the numerical diffusion of tetrahedral elements is significantly higher. Therefore the polyhedral cells are proposed within the paper in order to combine the advantages of hexahedrons (low numerical diffusion resulting in accurate solution) and tetrahedrons (rapid semi-automatic generation) as well as to overcome the disadvantages of both the above mentioned mesh types. The major benefit of polyhedral mesh is that each individual cell has many neighbours, so gradients can be well approximated. Polyhedrons are also less sensitive to stretching than tetrahedrons which results in better mesh quality leading to improved numerical stability of the model. In addition, numerical diffusion is reduced due to mass exchange over numerous faces. This leads to a more accurate solution achieved with a lower cell count. Therefore detailed comparison of numerical modelling results concerning conjugate heat transfer using tetrahedral and polyhedral meshes is presented in the paper.

Accessing Synthetically-Challenging Isoindole-Based Materials for Assessment in Organic Photovoltaics via Chemical and Engineering Methodologies =

NASA Astrophysics Data System (ADS)

Dang, Jeremy

Isoindoles are a broad class of compounds that comprise a very small space within the domain of established photoactive materials for organic photovoltaics (OPVs). Given this scarcity, combined with the performance appeal of presently and well known isoindole-based compounds such as the phthalocyanines, it is a worthy undertaking to develop new materials in this domain. This thesis aims to bring to light the suitability of five novel, or underexplored, classes of isoindole-based materials for OPVs. These classes are the boron subphthalocyanine (BsubPc) polymers, oxygen-bridged dimers of BsubPcs (mu-oxo-(BsubPc) 2), boron subnaphthalocyanines (BsubNcs), group XIII metal complexes of 1,3-bis(2-pyridylimino)isodinoline (BPI), and the boron tribenzosubporphyrins (BsubPys). The synthesis of these materials was proven to be challenging as evident in their low isolated yields, lengthy synthetic and purification processes, and/or batch-to-batch variations. This outcome was not surprising given their undeveloped chemical nature. The photo- and electro-physical properties were characterized and shown to be desirable for all classes other than the group XIII metal complexes of BPI for OPVs. mu-Oxo-(BsubPc)2 and BsubNcs show promise in this application while BsubPc polymers and BsubPys will be subjects of future exploration. The results from the work herein aid to develop and strengthen the fundamental understanding of the structure-property relationships of isoindole derivatives. On a broader scale, the work demonstrates their versatility as functional materials for OPVs and their possible expansion to other organic electronic technologies like organic light emitting diodes and organic field effect transistors.

Metallic Borides, La 2 Re 3 B 7 and La 3 Re 2 B 5 , Featuring Extensive Boron–Boron Bonding

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

Bugaris, Daniel E.; Malliakas, Christos D.; Chung, Duck Young

We synthesized La 2Re 3B 7 and La 3Re 2B 5 in single-crystalline form from a molten La/Ni eutectic at 1000°C, in the first example of the flux crystal growth of ternary rare-earth rhenium borides. Both compounds crystallize in their own orthorhombic structure types, with La 2Re 3B 7 (space group Pcca) having lattice parameters a = 7.657(2) Å, b = 6.755(1) Å, and c = 11.617(2) Å, and La 3Re 2B 5 (space group Pmma) having lattice parameters a = 10.809(2) Å, b = 5.287(1) Å, and c = 5.747(1) Å. Furthermore, the compounds possess three-dimensional framework structures thatmore » are built up from rhenium boride polyhedra and boron-boron bonding. La 3Re 2B 5 features fairly common B 2 dumbbells, whereas La 2Re 3B 7 has unique one-dimensional subunits composed of alternating triangular B3 and trans-B4 zigzag chain fragments. Also observed in La 3Re 2B 5 is an unusual coordination of B by an octahedron of La atoms. Electronic band structure calculations predict that La 2Re 3B 7 is a semimetal, which is observed in the electrical resistivity data as measured on single crystals, with behavior obeying the Bloch-Grüneisen model and a room-temperature resistivity ρ300K of ~ 375 μΩ cm. The electronic band structure calculations also suggest that La 3Re 2B 5 is a regular metal.« less

Metallic Borides, La 2 Re 3 B 7 and La 3 Re 2 B 5 , Featuring Extensive Boron–Boron Bonding

DOE PAGES

Bugaris, Daniel E.; Malliakas, Christos D.; Chung, Duck Young; ...

2016-01-26

We synthesized La 2Re 3B 7 and La 3Re 2B 5 in single-crystalline form from a molten La/Ni eutectic at 1000°C, in the first example of the flux crystal growth of ternary rare-earth rhenium borides. Both compounds crystallize in their own orthorhombic structure types, with La 2Re 3B 7 (space group Pcca) having lattice parameters a = 7.657(2) Å, b = 6.755(1) Å, and c = 11.617(2) Å, and La 3Re 2B 5 (space group Pmma) having lattice parameters a = 10.809(2) Å, b = 5.287(1) Å, and c = 5.747(1) Å. Furthermore, the compounds possess three-dimensional framework structures thatmore » are built up from rhenium boride polyhedra and boron-boron bonding. La 3Re 2B 5 features fairly common B 2 dumbbells, whereas La 2Re 3B 7 has unique one-dimensional subunits composed of alternating triangular B3 and trans-B4 zigzag chain fragments. Also observed in La 3Re 2B 5 is an unusual coordination of B by an octahedron of La atoms. Electronic band structure calculations predict that La 2Re 3B 7 is a semimetal, which is observed in the electrical resistivity data as measured on single crystals, with behavior obeying the Bloch-Grüneisen model and a room-temperature resistivity ρ300K of ~ 375 μΩ cm. The electronic band structure calculations also suggest that La 3Re 2B 5 is a regular metal.« less

Organic non-aqueous cation-based redox flow batteries

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

Zhang, Lu; Huang, Jinhua; Burrell, Anthony

The present invention provides a non-aqueous redox flow battery comprising a negative electrode immersed in a non-aqueous liquid negative electrolyte, a positive electrode immersed in a non-aqueous liquid positive electrolyte, and a cation-permeable separator (e.g., a porous membrane, film, sheet, or panel) between the negative electrolyte from the positive electrolyte. During charging and discharging, the electrolytes are circulated over their respective electrodes. The electrolytes each comprise an electrolyte salt (e.g., a lithium or sodium salt), a transition-metal free redox reactant, and optionally an electrochemically stable organic solvent. Each redox reactant is selected from an organic compound comprising a conjugated unsaturatedmore » moiety, a boron cluster compound, and a combination thereof. The organic redox reactant of the positive electrolyte comprises a tetrafluorohydroquinone ether compound or a tetrafluorocatechol ether compound.« less

Research on the attitude detection technology of the tetrahedron robot

NASA Astrophysics Data System (ADS)

Gong, Hao; Chen, Keshan; Ren, Wenqiang; Cai, Xin

2017-10-01

The traditional attitude detection technology can't tackle the problem of attitude detection of the polyhedral robot. Thus we propose a novel algorithm of multi-sensor data fusion which is based on Kalman filter. In the algorithm a tetrahedron robot is investigated. We devise an attitude detection system for the polyhedral robot and conduct the verification of data fusion algorithm. It turns out that the minimal attitude detection system we devise could capture attitudes of the tetrahedral robot in different working conditions. Thus the Kinematics model we establish for the tetrahedron robot is correct and the feasibility of the attitude detection system is proven.

Divergence preserving discrete surface integral methods for Maxwell's curl equations using non-orthogonal unstructured grids

NASA Technical Reports Server (NTRS)

Madsen, Niel K.

1992-01-01

Several new discrete surface integral (DSI) methods for solving Maxwell's equations in the time-domain are presented. These methods, which allow the use of general nonorthogonal mixed-polyhedral unstructured grids, are direct generalizations of the canonical staggered-grid finite difference method. These methods are conservative in that they locally preserve divergence or charge. Employing mixed polyhedral cells, (hexahedral, tetrahedral, etc.) these methods allow more accurate modeling of non-rectangular structures and objects because the traditional stair-stepped boundary approximations associated with the orthogonal grid based finite difference methods can be avoided. Numerical results demonstrating the accuracy of these new methods are presented.

Tetrahedral and polyhedral mesh evaluation for cerebral hemodynamic simulation--a comparison.

PubMed

Spiegel, Martin; Redel, Thomas; Zhang, Y; Struffert, Tobias; Hornegger, Joachim; Grossman, Robert G; Doerfler, Arnd; Karmonik, Christof

2009-01-01

Computational fluid dynamic (CFD) based on patient-specific medical imaging data has found widespread use for visualizing and quantifying hemodynamics in cerebrovascular disease such as cerebral aneurysms or stenotic vessels. This paper focuses on optimizing mesh parameters for CFD simulation of cerebral aneurysms. Valid blood flow simulations strongly depend on the mesh quality. Meshes with a coarse spatial resolution may lead to an inaccurate flow pattern. Meshes with a large number of elements will result in unnecessarily high computation time which is undesirable should CFD be used for planning in the interventional setting. Most CFD simulations reported for these vascular pathologies have used tetrahedral meshes. We illustrate the use of polyhedral volume elements in comparison to tetrahedral meshing on two different geometries, a sidewall aneurysm of the internal carotid artery and a basilar bifurcation aneurysm. The spatial mesh resolution ranges between 5,119 and 228,118 volume elements. The evaluation of the different meshes was based on the wall shear stress previously identified as a one possible parameter for assessing aneurysm growth. Polyhedral meshes showed better accuracy, lower memory demand, shorter computational speed and faster convergence behavior (on average 369 iterations less).

Polyhedral geometry of phylogenetic rogue taxa.

PubMed

Cueto, María Angélica; Matsen, Frederick A

2011-06-01

It is well known among phylogeneticists that adding an extra taxon (e.g. species) to a data set can alter the structure of the optimal phylogenetic tree in surprising ways. However, little is known about this "rogue taxon" effect. In this paper we characterize the behavior of balanced minimum evolution (BME) phylogenetics on data sets of this type using tools from polyhedral geometry. First we show that for any distance matrix there exist distances to a "rogue taxon" such that the BME-optimal tree for the data set with the new taxon does not contain any nontrivial splits (bipartitions) of the optimal tree for the original data. Second, we prove a theorem which restricts the topology of BME-optimal trees for data sets of this type, thus showing that a rogue taxon cannot have an arbitrary effect on the optimal tree. Third, we computationally construct polyhedral cones that give complete answers for BME rogue taxon behavior when our original data fits a tree on four, five, and six taxa. We use these cones to derive sufficient conditions for rogue taxon behavior for four taxa, and to understand the frequency of the rogue taxon effect via simulation.

Temperature dependence of polyhedral cage volumes in clathrate hydrates

USGS Publications Warehouse

Chakoumakos, B.C.; Rawn, C.J.; Rondinone, A.J.; Stern, L.A.; Circone, S.; Kirby, S.H.; Ishii, Y.; Jones, C.Y.; Toby, B.H.

2003-01-01

The polyhedral cage volumes of structure I (sI) (carbon dioxide, methane, trimethylene oxide) and structure II (sII) (methane-ethane, propane, tetrahydrofuran, trimethylene oxide) hydrates are computed from atomic positions determined from neutron powder-diffraction data. The ideal structural formulas for sI and sII are, respectively, S2L6 ?? 46H2O and S16L???8 ?? 136H2O, where S denotes a polyhedral cage with 20 vertices, L a 24-cage, and L??? a 28-cage. The space-filling polyhedral cages are defined by the oxygen atoms of the hydrogen-bonded network of water molecules. Collectively, the mean cage volume ratio is 1.91 : 1.43 : 1 for the 28-cage : 24-cage : 20-cage, which correspond to equivalent sphere radii of 4.18, 3.79, and 3.37 A??, respectively. At 100 K, mean polyhedral volumes are 303.8, 227.8, and 158.8 A??3 for the 28-cage, 24-cage, and 20-cage, respectively. In general, the 20-cage volume for a sII is larger than that of a sI, although trimethylene oxide is an exception. The temperature dependence of the cage volumes reveals differences between apparently similar cages with similar occupants. In the case of trimethylene oxide hydrate, which forms both sI and sII, the 20-cages common to both structures contract quite differently. From 220 K, the sII 20-cage exhibits a smooth monotonic reduction in size, whereas the sI 20-cage initially expands upon cooling to 160 K, then contracts more rapidly to 10 K, and overall the sI 20-cage is larger than the sII 20-cage. The volumes of the large cages in both structures contract monotonically with decreasing temperature. These differences reflect reoriented motion of the trimethyelene oxide molecule in the 24-cage of sI, consistent with previous spectroscopic and calorimetric studies. For the 20-cages in methane hydrate (sI) and a mixed methane-ethane hydrate (sII), both containing methane as the guest molecule, the temperature dependence of the 20-cage volume in sII is much less than that in sI, but sII is overall larger in volume.

Synthesis of N-(6-Arylbenzo[d]thiazole-2-acetamide Derivatives and Their Biological Activities: An Experimental and Computational Approach.

PubMed

Gull, Yasmeen; Rasool, Nasir; Noreen, Mnaza; Altaf, Ataf Ali; Musharraf, Syed Ghulam; Zubair, Muhammad; Nasim, Faiz-Ul-Hassan; Yaqoob, Asma; DeFeo, Vincenzo; Zia-Ul-Haq, Muhammad

2016-02-25

A new series of N-(6-arylbenzo[d]thiazol-2-yl)acetamides were synthesized by C-C coupling methodology in the presence of Pd(0) using various aryl boronic pinacol ester/acids. The newly synthesized compounds were evaluated for various biological activities like antioxidant, haemolytic, antibacterial and urease inhibition. In bioassays these compounds were found to have moderate to good activities. Among the tested biological activities screened these compounds displayed the most significant activity for urease inhibition. In urease inhibition, all compounds were found more active than the standard used. The compound N-(6-(p-tolyl)benzo[d]thiazol-2-yl)acetamide was found to be the most active. To understand this urease inhibition, molecular docking studies were performed. The in silico studies showed that these acetamide derivatives bind to the non-metallic active site of the urease enzyme. Structure-activity studies revealed that H-bonding of compounds with the enzyme is important for its inhibition.

A combination method based on chitosan adsorption and duckweed (Lemna gibba L.) phytoremediation for boron (B) removal from drinking water.

PubMed

Türker, Onur Can; Baran, Talat

2018-01-28

The metalloid boron (B) and its compounds widely exist in the environment, and boron can have hazardous effects on plants, animals, and human beings when it is found in high concentrations in water bodies. It is difficult and costly to remove B with conventional treatment methods from drinking water. Therefore, alternative and cost-effective treatment techniques are necessary. In this study, for the first time, a novel and environmentally friendly method based on the phytoremediation ability of chitosan and duckweed (Lemna gibba L.) combination was evaluated for B removal from drinking water. Our results from batch adsorption experiment indicated that the highest B uptake capacity of chitosan bead was found as 3.18 mg/g, and we determined the optimal B sorption occurs at pH value of 7. The Langmuir isotherm and pseudo-second-order kinetic model better fitted the equilibrium obtained for B removal. B in drinking water could be reduced to less than 2.4 mg L -1 when 0.05 g of plant-based chitosan beads and 12 L. gibba fronds were used in the 4-day treatment period.

In situ characterization of the decomposition behavior of Mg(BH4)2 by X-ray Raman scattering spectroscopy.

PubMed

Sahle, Christoph J; Kujawski, Simon; Remhof, Arndt; Yan, Yigang; Stadie, Nicholas P; Al-Zein, Ali; Tolan, Metin; Huotari, Simo; Krisch, Michael; Sternemann, Christian

2016-02-21

We present an in situ study of the thermal decomposition of Mg(BH4)2 in a hydrogen atmosphere of up to 4 bar and up to 500 °C using X-ray Raman scattering spectroscopy at the boron K-edge and the magnesium L2,3-edges. The combination of the fingerprinting analysis of both edges yields detailed quantitative information on the reaction products during decomposition, an issue of crucial importance in determining whether Mg(BH4)2 can be used as a next-generation hydrogen storage material. This work reveals the formation of reaction intermediate(s) at 300 °C, accompanied by a significant hydrogen release without the occurrence of stable boron compounds such as amorphous boron or MgB12H12. At temperatures between 300 °C and 400 °C, further hydrogen release proceeds via the formation of higher boranes and crystalline MgH2. Above 400 °C, decomposition into the constituting elements takes place. Therefore, at moderate temperatures, Mg(BH4)2 is shown to be a promising high-density hydrogen storage material with great potential for reversible energy storage applications.

Green colorants based on energetic azole borates.

PubMed

Glück, Johann; Klapötke, Thomas M; Rusan, Magdalena; Stierstorfer, Jörg

2014-11-24

The investigation of green-burning boron-based compounds as colorants in pyrotechnic formulations as alternative for barium nitrate, which is a hazard to health and to the environment, is reported. Metal-free and nitrogen-rich dihydrobis(5-aminotetrazolyl)borate salts and dihydrobis(1,3,4-triazolyl)borate salts have been synthesized and characterized by NMR spectroscopy, elemental analysis, mass spectrometry, and vibrational spectroscopy. Their thermal and energetic properties have been determined as well. Several pyrotechnic compositions using selected azolyl borate salts as green colorants were investigated. Formulations with ammonium dinitramide and ammonium nitrate as oxidizers and boron and magnesium as fuels were tested. The burn time, dominant wavelength, spectral purity, luminous intensity, and luminous efficiency as well as the thermal and energetic properties of these compositions were measured. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitors

NASA Astrophysics Data System (ADS)

Sgrignani, Jacopo; De Luca, Filomena; Torosyan, Hayarpi; Docquier, Jean-Denis; Duan, Da; Novati, Beatrice; Prati, Fabio; Colombo, Giorgio; Grazioso, Giovanni

2016-10-01

β-Lactamases are bacterial enzymes conferring resistance to β-lactam antibiotics in clinically-relevant pathogens, and represent relevant drug targets. Recently, the identification of new boronic acids (i.e. RPX7009) paved the way to the clinical application of these molecules as potential drugs. Here, we screened in silico a library of 1400 boronic acids as potential AmpC β-lactamase inhibitors. Six of the most promising candidates were evaluated in biochemical assays leading to the identification of potent inhibitors of clinically-relevant β-lactamases like AmpC, KPC-2 and CTX-M-15. One of the selected compounds showed nanomolar K i value with the clinically-relevant KPC-2 carbapenemase, while another one exhibited broad spectrum inhibition, being also active on Enterobacter AmpC and the OXA-48 class D carbapenemase.

Workshop on neutron capture therapy

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

Fairchild, R.G.; Bond, V.P.

1986-01-01

Potentially optimal conditions for Neutron Capture Therapy (NCT) may soon be in hand due to the anticipated development of band-pass filtered beams relatively free of fast neutron contaminations, and of broadly applicable biomolecules for boron transport such as porphyrins and monoclonal antibodies. Consequently, a number of groups in the US are now devoting their efforts to exploring NCT for clinical application. The purpose of this Workshop was to bring these groups together to exchange views on significant problems of mutual interest, and to assure a unified and effective approach to the solutions. Several areas of preclinical investigation were deemed tomore » be necessary before it would be possible to initiate clinical studies. As neither the monomer nor the dimer of sulfhydryl boron hydride is unequivocally preferable at this time, studies on both compounds should be continued until one is proven superior.« less

Solid State Chemistry of Clathrate Phases: Crystal Structure, Chemical Bonding and Preparation Routes

NASA Astrophysics Data System (ADS)

Baitinger, Michael; Böhme, Bodo; Ormeci, Alim; Grin, Yuri

Clathrates represent a family of inorganic materials called cage compounds. The key feature of their crystal structures is a three-dimensional (host) framework bearing large cavities (cages) with 20-28 vertices. These polyhedral cages bear—as a rule—guest species. Depending on the formal charge of the framework, clathrates are grouped in anionic, cationic and neutral. While the bonding in the framework is of (polar) covalent nature, the guest-host interaction can be ionic, covalent or even van-der Waals, depending on the chemical composition of the clathrates. The chemical composition and structural features of the cationic clathrates can be described by the enhanced Zintl concept, whereas the composition of the anionic clathrates deviates often from the Zintl counts, indicating additional atomic interactions in comparison with the ionic-covalent Zintl model. These interactions can be visualized and studied by applying modern quantum chemical approaches such as electron localizability.

Ellipsoidal analysis of coordination polyhedra

PubMed Central

Cumby, James; Attfield, J. Paul

2017-01-01

The idea of the coordination polyhedron is essential to understanding chemical structure. Simple polyhedra in crystalline compounds are often deformed due to structural complexity or electronic instabilities so distortion analysis methods are useful. Here we demonstrate that analysis of the minimum bounding ellipsoid of a coordination polyhedron provides a general method for studying distortion, yielding parameters that are sensitive to various orders in metal oxide examples. Ellipsoidal analysis leads to discovery of a general switching of polyhedral distortions at symmetry-disallowed transitions in perovskites that may evidence underlying coordination bistability, and reveals a weak off-centre ‘d5 effect' for Fe3+ ions that could be exploited in multiferroics. Separating electronic distortions from intrinsic deformations within the low temperature superstructure of magnetite provides new insights into the charge and trimeron orders. Ellipsoidal analysis can be useful for exploring local structure in many materials such as coordination complexes and frameworks, organometallics and organic molecules. PMID:28146146

Origami silicon optoelectronics for hemispherical electronic eye systems.

PubMed

Zhang, Kan; Jung, Yei Hwan; Mikael, Solomon; Seo, Jung-Hun; Kim, Munho; Mi, Hongyi; Zhou, Han; Xia, Zhenyang; Zhou, Weidong; Gong, Shaoqin; Ma, Zhenqiang

2017-11-24

Digital image sensors in hemispherical geometries offer unique imaging advantages over their planar counterparts, such as wide field of view and low aberrations. Deforming miniature semiconductor-based sensors with high-spatial resolution into such format is challenging. Here we report a simple origami approach for fabricating single-crystalline silicon-based focal plane arrays and artificial compound eyes that have hemisphere-like structures. Convex isogonal polyhedral concepts allow certain combinations of polygons to fold into spherical formats. Using each polygon block as a sensor pixel, the silicon-based devices are shaped into maps of truncated icosahedron and fabricated on flexible sheets and further folded either into a concave or convex hemisphere. These two electronic eye prototypes represent simple and low-cost methods as well as flexible optimization parameters in terms of pixel density and design. Results demonstrated in this work combined with miniature size and simplicity of the design establish practical technology for integration with conventional electronic devices.

Method of making silicon carbide-silicon composite having improved oxidation resistance

NASA Technical Reports Server (NTRS)

Wang, Hongyu (Inventor); Luthra, Krishan Lal (Inventor)

2002-01-01

A Silicon carbide-silicon matrix composite having improved oxidation resistance at high temperatures in dry or water-containing environments is provided. A method is given for sealing matrix cracks in situ in melt infiltrated silicon carbide-silicon matrix composites. The composite cracks are sealed by the addition of various additives, such as boron compounds, into the melt infiltrated silicon carbide-silicon matrix.

Silicon carbide-silicon composite having improved oxidation resistance and method of making

NASA Technical Reports Server (NTRS)

Wang, Hongyu (Inventor); Luthra, Krishan Lal (Inventor)

1999-01-01

A Silicon carbide-silicon matrix composite having improved oxidation resistance at high temperatures in dry or water-containing environments is provided. A method is given for sealing matrix cracks in situ in melt infiltrated silicon carbide-silicon matrix composites. The composite cracks are sealed by the addition of various additives, such as boron compounds, into the melt infiltrated silicon carbide-silicon matrix.

Integrated Protection Against Lyctid Beetle Infestations Part II. - Laboratory Dip-Diffusion Treatment of Unseasoned Banak (Virola spp.) Lumber with Boron Compounds

Treesearch

Lonnie H. Williams; Joe K. Mauldin

1985-01-01

A manufacturer of conventional moulding wanted a method that would prevent lyctid beetle damage to banak (Virola spp.) wood throughout the period from initial cutting in Brazil until final mouldings were in use. Because complete penetration of wood may be obtained, unseasoned banak wood was treated by dip-diffusion with disodium octaborate...

Fluoride ion recognition by chelating and cationic boranes.

PubMed

Hudnall, Todd W; Chiu, Ching-Wen; Gabbaï, François P

2009-02-17

Because of the ubiquity of fluoride ions and their potential toxicity at high doses, researchers would like to design receptors that selectively detect this anion. Fluoride is found in drinking water, toothpaste, and osteoporosis drugs. In addition, fluoride ions also can be detected as an indicator of uranium enrichment (via hydrolysis of UF(6)) or of the chemical warfare agent sarin, which releases the ion upon hydrolysis. However, because of its high hydration enthalpy, the fluoride anion is one of the most challenging targets for anion recognition. Among the various recognition strategies that are available, researchers have focused a great deal of attention on Lewis acidic boron compounds. These molecules typically interact with fluoride anions to form the corresponding fluoroborate species. In the case of simple triarylboranes, the fluoroborates are formed in organic solvents but not in water. To overcome this limitation, this Account examines various methods we have pursued to increase the fluoride-binding properties of boron-based receptors. We first considered the use of bifunctional boranes, which chelate the fluoride anion, such as 1,8-diborylnaphthalenes or heteronuclear 1-boryl-8-mercurio-naphthalenes. In these molecules, the neighboring Lewis acidic atoms can cooperatively interact with the anionic guest. Although the fluoride binding constants of the bifunctional compounds exceed those of neutral monofunctional boranes by several orders of magnitude, the incompatibility of these systems with aqueous media limits their utility. More recently, we have examined simple triarylboranes whose ligands are decorated by cationic ammonium or phosphonium groups. These cationic groups increase the electrophilic character of these boranes, and unlike their neutral analogs, they are able to complex fluoride in aqueous media. We have also considered cationic boranes, which form chelate complexes with fluoride anions. Our work demonstrates that Coulombic and chelate effects are additive and can be combined to boost the anion affinity of Lewis acidic hosts. The boron compounds that we have investigated present a set of photophysical and electrochemical properties that can serve to signal the fluoride-binding event. We can also apply this approach to cyanide complexation and are continuing our investigations in that area.

Toward a clinical application of ex situ boron neutron capture therapy for lung tumors at the RA-3 reactor in Argentina

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

Farías, R. O.; Trivillin, V. A.; Portu, A. M.

Purpose: Many types of lung tumors have a very poor prognosis due to their spread in the whole organ volume. The fact that boron neutron capture therapy (BNCT) would allow for selective targeting of all the nodules regardless of their position, prompted a preclinical feasibility study of ex situ BNCT at the thermal neutron facility of RA-3 reactor in the province of Buenos Aires, Argentina. (L)-4p-dihydroxy-borylphenylalanine fructose complex (BPA-F) biodistribution studies in an adult sheep model and computational dosimetry for a human explanted lung were performed to evaluate the feasibility and the therapeutic potential of ex situ BNCT. Methods: Twomore » kinds of boron biodistribution studies were carried out in the healthy sheep: a set of pharmacokinetic studies without lung excision, and a set that consisted of evaluation of boron concentration in the explanted and perfused lung. In order to assess the feasibility of the clinical application of ex situ BNCT at RA-3, a case of multiple lung metastases was analyzed. A detailed computational representation of the geometry of the lung was built based on a real collapsed human lung. Dosimetric calculations and dose limiting considerations were based on the experimental results from the adult sheep, and on the most suitable information published in the literature. In addition, a workable treatment plan was considered to assess the clinical application in a realistic scenario. Results: Concentration-time profiles for the normal sheep showed that the boron kinetics in blood, lung, and skin would adequately represent the boron behavior and absolute uptake expected in human tissues. Results strongly suggest that the distribution of the boron compound is spatially homogeneous in the lung. A constant lung-to-blood ratio of 1.3 ± 0.1 was observed from 80 min after the end of BPA-F infusion. The fact that this ratio remains constant during time would allow the blood boron concentration to be used as a surrogate and indirect quantification of the estimated value in the explanted healthy lung. The proposed preclinical animal model allowed for the study of the explanted lung. As expected, the boron concentration values fell as a result of the application of the preservation protocol required to preserve the lung function. The distribution of the boron concentration retention factor was obtained for healthy lung, with a mean value of 0.46 ± 0.14 consistent with that reported for metastatic colon carcinoma model in rat perfused lung. Considering the human lung model and suitable tumor control probability for lung cancer, a promising average fraction of controlled lesions higher than 85% was obtained even for a low tumor-to-normal boron concentration ratio of 2. Conclusions: This work reports for the first time data supporting the validity of the ovine model as an adequate human surrogate in terms of boron kinetics and uptake in clinically relevant tissues. Collectively, the results and analysis presented would strongly suggest that ex situ whole lung BNCT irradiation is a feasible and highly promising technique that could greatly contribute to the treatment of metastatic lung disease in those patients without extrapulmonary spread, increasing not only the expected overall survival but also the resulting quality of life.« less

Toward a clinical application of ex situ boron neutron capture therapy for lung tumors at the RA-3 reactor in Argentina.

PubMed

Farías, R O; Garabalino, M A; Ferraris, S; Santa María, J; Rovati, O; Lange, F; Trivillin, V A; Monti Hughes, A; Pozzi, E C C; Thorp, S I; Curotto, P; Miller, M E; Santa Cruz, G A; Bortolussi, S; Altieri, S; Portu, A M; Saint Martin, G; Schwint, A E; González, S J

2015-07-01

Many types of lung tumors have a very poor prognosis due to their spread in the whole organ volume. The fact that boron neutron capture therapy (BNCT) would allow for selective targeting of all the nodules regardless of their position, prompted a preclinical feasibility study of ex situ BNCT at the thermal neutron facility of RA-3 reactor in the province of Buenos Aires, Argentina. (l)-4p-dihydroxy-borylphenylalanine fructose complex (BPA-F) biodistribution studies in an adult sheep model and computational dosimetry for a human explanted lung were performed to evaluate the feasibility and the therapeutic potential of ex situ BNCT. Two kinds of boron biodistribution studies were carried out in the healthy sheep: a set of pharmacokinetic studies without lung excision, and a set that consisted of evaluation of boron concentration in the explanted and perfused lung. In order to assess the feasibility of the clinical application of ex situ BNCT at RA-3, a case of multiple lung metastases was analyzed. A detailed computational representation of the geometry of the lung was built based on a real collapsed human lung. Dosimetric calculations and dose limiting considerations were based on the experimental results from the adult sheep, and on the most suitable information published in the literature. In addition, a workable treatment plan was considered to assess the clinical application in a realistic scenario. Concentration-time profiles for the normal sheep showed that the boron kinetics in blood, lung, and skin would adequately represent the boron behavior and absolute uptake expected in human tissues. Results strongly suggest that the distribution of the boron compound is spatially homogeneous in the lung. A constant lung-to-blood ratio of 1.3 ± 0.1 was observed from 80 min after the end of BPA-F infusion. The fact that this ratio remains constant during time would allow the blood boron concentration to be used as a surrogate and indirect quantification of the estimated value in the explanted healthy lung. The proposed preclinical animal model allowed for the study of the explanted lung. As expected, the boron concentration values fell as a result of the application of the preservation protocol required to preserve the lung function. The distribution of the boron concentration retention factor was obtained for healthy lung, with a mean value of 0.46 ± 0.14 consistent with that reported for metastatic colon carcinoma model in rat perfused lung. Considering the human lung model and suitable tumor control probability for lung cancer, a promising average fraction of controlled lesions higher than 85% was obtained even for a low tumor-to-normal boron concentration ratio of 2. This work reports for the first time data supporting the validity of the ovine model as an adequate human surrogate in terms of boron kinetics and uptake in clinically relevant tissues. Collectively, the results and analysis presented would strongly suggest that ex situ whole lung BNCT irradiation is a feasible and highly promising technique that could greatly contribute to the treatment of metastatic lung disease in those patients without extrapulmonary spread, increasing not only the expected overall survival but also the resulting quality of life.

Development of α-glucosidase inhibitors by room temperature C-C cross couplings of quinazolinones.

PubMed

Garlapati, Ramesh; Pottabathini, Narender; Gurram, Venkateshwarlu; Kasani, Kumara Swamy; Gundla, Rambabu; Thulluri, Chiranjeevi; Machiraju, Pavan Kumar; Chaudhary, Avinash B; Addepally, Uma; Dayam, Raveendra; Chunduri, Venkata Rao; Patro, Balaram

2013-08-07

Novel quinazolinone based α-glucosidase inhibitors have been developed. For this purpose a virtual screening model has been generated and validated utilizing acarbose as a α-glucosidase inhibitor. Homology modeling, docking, and virtual screening were successfully employed to discover a set of structurally diverse compounds active against α-glucosidase. A search of a 3D database containing 22,500 small molecules using the structure based virtual model yielded ten possible candidates. All ten candidates were N-3-pyridyl-2-cyclopropyl quinazolinone-4-one derivatives, varying at the 6 position. This position was modified by Suzuki-Miyaura cross coupling with aryl, heteroaryl, and alkyl boronic acids. A catalyst screen was performed, and using the best optimal conditions, a series of twenty five compounds was synthesized. Notably, the C-C cross coupling reactions of the 6-bromo-2-cyclopropyl-3-(pyridyl-3-ylmethyl)quinazolin-4(3H)-one precursor have been accomplished at room temperature. A comparison of the relative reactivities of 6-bromo and 6-chloro-2,3-disubstituted quinazolinones with phenyl boronic acid was conducted. An investigation of pre-catalyst loading for the reaction of the 6-bromo-2-cyclopropyl-3-(pyridyl-3-ylmethyl)quinazolin-4(3H)-one substrate was also carried out. Finally, we submitted our compounds to biological assays against α-glucosidase inhibitors. Of these, three hits (compounds 4a, 4t and 4r) were potentially active as α-glucosidase inhibitors and showed activity with IC50 values <20 μM. Based on structural novelty and desirable drug-like properties, 4a was selected for structure-activity relationship study, and thirteen analogs were synthesized. Nine out of thirteen analogs acted as α-glucosidase inhibitors with IC50 values <10 μM. These lead compounds have desirable physicochemical properties and are excellent candidates for further optimization.

Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex

NASA Astrophysics Data System (ADS)

Qian, Cheng; Kong, Fang; Mao, Jiang-Gao

2016-06-01

A series of vanadium selenites covalently bonded with metal-organic complex, namely, Ni(2,2-bipy)2V2O4(SeO3)2 (1), Cu(2,2-bipy)V2O4(SeO3)2·0.5H2O (2) and Cu2(2,2-bipy)2V5O12(SeO3)2 (3) (2,2-bipy=2,2-bipyridine) have been hydrothermally synthesized and structurally characterized. They exhibit three different structural dimensions, from 0D cluster, 1D chain to 2D layer. Compound 1 features a 0D {Ni(2,2-bipy)2V2O4(SeO3)2}2 dimeric cluster composed of two {Ni(2,2-bipy)2}2+ moieties connected by the {V4O8(SeO3)4}4- cluster. Compound 2 shows a 1D {Cu(2,2-bipy)V2O4(SeO3)2}n chain in which the {Cu2(2,2-bipy)2}4+ moieties are bridged by the {V4O8(SeO3)4}4- clusters. Compound 3 displays a 2D structure consisted of mixed valence vanadium selenites layers {VIVVV4SeIV2O18}n4- and {Cu(2,2-bipy)}2+ complex moieties. The adjacent layers are further interconnected via π-π interactions between the 2,2-bipy ligands exhibiting an interesting 3D supramolecular architecture. Both compound 1 and 2 contain a new {V4O8(SeO3)4}4- cluster and compound 3 exhibits the first 2D vanadate polyhedral layer in vanadium selenites/tellurites with organic moieties.

Complete titanium substitution by boron in a tetragonal prism: exploring the complex boride series Ti(3-x)Ru(5-y)Ir(y)B(2+x) (0 ≤ x ≤ 1 and 1 < y < 3) by experiment and theory.

PubMed

Fokwa, Boniface P T; Hermus, Martin

2011-04-18

Polycrystalline samples and single crystals of four members of the new complex boride series Ti(3-x)Ru(5-y)Ir(y)B(2+x) (0 ≤ x ≤ 1 and 1 < y < 3) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere. The new silvery phases were structurally characterized by powder and single-crystal X-ray diffraction as well as energy- and wavelength-dispersive X-ray spectroscopy analyses. They crystallize with the tetragonal Ti(3)Co(5)B(2) structure type in space group P4/mbm (No. 127). Tetragonal prisms of Ru/Ir atoms are filled with titanium in the boron-poorest phase (Ti(3)Ru(2.9)Ir(2.1)B(2)). Gradual substitution of titanium by boron then results in the successive filling of this site by a Ti/B mixture en route to the complete boron occupation, leading to the boron-richest phase (Ti(2)Ru(2.8)Ir(2.2)B(3)). Furthermore, both ruthenium and iridium share two sites in these structures, but a clear Ru/Ir site preference is found. First-principles density functional theory calculations (Vienna ab initio simulation package) on appropriate structural models (using a supercell approach) have provided more evidence on the stability of the boron-richest and -poorest phases, and the calculated lattice parameters corroborate very well with the experimentally found ones. Linear muffin-tin orbital atomic sphere approximation calculations further supported these findings through crystal orbital Hamilton population bonding analyses, which also show that the Ru/Ir-B and Ru/Ir-Ti heteroatomic interactions are mainly responsible for the structural stability of these compounds. Furthermore, some stable and unstable phases of this complex series could be predicted using the rigid-band model. According to the density of states analyses, all phases should be metallic conductors, as was expected from these metal-rich borides.

Alcohol-free alkoxide process for containing nuclear waste

DOEpatents

Pope, James M.; Lahoda, Edward J.

1984-01-01

Disclosed is a method of containing nuclear waste. A composition is first prepared of about 25 to about 80%, calculated as SiO.sub.2, of a partially hydrolyzed silicon compound, up to about 30%, calculated as metal oxide, of a partially hydrolyzed aluminum or calcium compound, about 5 to about 20%, calculated as metal oxide, of a partially hydrolyzed boron or calcium compound, about 3 to about 25%, calculated as metal oxide, of a partially hydrolyzed sodium, potassium or lithium compound, an alcohol in a weight ratio to hydrolyzed alkoxide of about 1.5 to about 3% and sufficient water to remove at least 99% of the alcohol as an azeotrope. The azeotrope is boiled off and up to about 40%, based on solids in the product, of the nuclear waste, is mixed into the composition. The mixture is evaporated to about 25 to about 45% solids and is melted and cooled.

Electrochemical wastewater treatment: influence of the type of carbon and of nitrogen on the organic load removal.

PubMed

Fernandes, Annabel; Coelho, João; Ciríaco, Lurdes; Pacheco, Maria José; Lopes, Ana

2016-12-01

Boron-doped diamond (BDD) and Ti/Pt/PbO 2 anodes were utilized to perform the electrodegradation of synthetic samples containing humic acid in the presence of different organic and inorganic carbon-containing and nitrogen-containing compounds. The influence of the chloride ion in the degradation process of the different synthetic samples was also assessed. The results showed that the anodic oxidation process can efficiently degrade recalcitrant compounds such as humic acid. The presence of carbonate in solution enhances the nitrogen removal, whereas it hinders the oxidation of the organic compounds. When organic nitrogen is present, it is converted to NH 4 + , which in turn is oxidized to nitrate and to volatile nitrogen compounds. Hydroxyl radicals are more prone to oxidize the organic nitrogen than the ammonium nitrogen. The presence of chloride enhances the organic matter and nitrogen removal rates, BDD being the anode material that yields the highest removals.

Boron-based dual imaging probes, compositions and methods for rapid aqueous F-18 labeling, and imaging methods using same

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

Li, Zibo; Gabbai, Francois P.; Conti, Peter S.

A composition useful as a PET and/or fluorescence imaging probe a compound a compound of Formula I, including salts, hydrates and solvates thereof: ##STR00001## wherein R.sub.1-R.sub.7 may be independently selected from hydrogen, halogen, hydroxy, alkoxy, nitro, substituted and unsubstituted amino, cycloalkyl, carboxy, carboxylic acids and esters thereof, cyano, haloalkyl, aryl, X is selected from the group consisting of C and N; and A is selected of hydrogen, halogen, hydroxy, alkoxy, nitro, substituted and unsubstituted amino, alkyl, cycloalkyl, carboxy, carboxylic acids and esters thereof, cyano, haloalkyl, aryl, including phenyl and aminophenyl, and heteroaryl.

Synthesis, Structure, and Properties of Refractory Hard-Metal Borides

NASA Astrophysics Data System (ADS)

Lech, Andrew Thomas

As the limits of what can be achieved with conventional hard compounds, such as tungsten carbide, are nearing reach, super-hard materials are an area of increasing industrial interest. The refractory hard metal borides, such as ReB2 and WB4, offer an increasingly attractive alternative to diamond and cubic boron nitride as a next-generation tool material. In this Thesis, a thorough discussion is made of the progress achieved by our laboratory towards understanding the synthesis, structure, and properties of these extremely hard compounds. Particular emphasis is placed on structural manipulation, solid solution formation, and the unique crystallographic manifestations of what might also be called "super-hard metals".

Friction and wear of radiofrequency-sputtered borides, silicides, and carbides

NASA Technical Reports Server (NTRS)

Brainard, W. A.; Wheeler, D. R.

1978-01-01

The friction and wear properties of several refractory compound coatings were examined. These compounds were applied to 440 C bearing steel surfaces by radiofrequency (RF) sputtering. The refractory compounds were the titanium and molybdenum borides, the titanium and molybdenum silicides, and the titanium, molybdenum, and boron carbides. Friction testing was done with a pin-on-disk wear apparatus at loads from 0.1 to 5.0 newtons. Generally, the best wear properties were obtained when the coatings were bias sputtered onto 440 C disks that had been preoxidized. Adherence was improved because of the better bonding of the coatings to the iron oxide formed during preoxidation. As a class the carbides provided wear protection to the highest loads. Titanium boride coatings provided low friction and good wear properties to moderate loads.

Path planning algorithms for assembly sequence planning. [in robot kinematics

NASA Technical Reports Server (NTRS)

Krishnan, S. S.; Sanderson, Arthur C.

1991-01-01

Planning for manipulation in complex environments often requires reasoning about the geometric and mechanical constraints which are posed by the task. In planning assembly operations, the automatic generation of operations sequences depends on the geometric feasibility of paths which permit parts to be joined into subassemblies. Feasible locations and collision-free paths must be present for part motions, robot and grasping motions, and fixtures. This paper describes an approach to reasoning about the feasibility of straight-line paths among three-dimensional polyhedral parts using an algebra of polyhedral cones. A second method recasts the feasibility conditions as constraints in a nonlinear optimization framework. Both algorithms have been implemented and results are presented.

Asymmetrical Polyhedral Configuration of Giant Vesicles Induced by Orderly Array of Encapsulated Colloidal Particles

PubMed Central

Natsume, Yuno; Toyota, Taro

2016-01-01

Giant vesicles (GVs) encapsulating colloidal particles by a specific volume fraction show a characteristic configuration under a hypertonic condition. Several flat faces were formed in GV membrane with orderly array of inner particles. GV shape changed from the spherical to the asymmetrical polyhedral configuration. This shape deformation was derived by entropic interaction between inner particles and GV membrane. Because a part of inner particles became to form an ordered phase in the region neighboring the GV membrane, free volume for the other part of particles increased. Giant vesicles encapsulating colloidal particles were useful for the model of “crowding effect” which is the entropic interaction in the cell. PMID:26752650

Asymmetrical Polyhedral Configuration of Giant Vesicles Induced by Orderly Array of Encapsulated Colloidal Particles.

PubMed

Natsume, Yuno; Toyota, Taro

2016-01-01

Giant vesicles (GVs) encapsulating colloidal particles by a specific volume fraction show a characteristic configuration under a hypertonic condition. Several flat faces were formed in GV membrane with orderly array of inner particles. GV shape changed from the spherical to the asymmetrical polyhedral configuration. This shape deformation was derived by entropic interaction between inner particles and GV membrane. Because a part of inner particles became to form an ordered phase in the region neighboring the GV membrane, free volume for the other part of particles increased. Giant vesicles encapsulating colloidal particles were useful for the model of "crowding effect" which is the entropic interaction in the cell.

Controlling the shape of membrane protein polyhedra

NASA Astrophysics Data System (ADS)

Li, Di; Kahraman, Osman; Haselwandter, Christoph A.

2017-03-01

Membrane proteins and lipids can self-assemble into membrane protein polyhedral nanoparticles (MPPNs). MPPNs have a closed spherical surface and a polyhedral protein arrangement, and may offer a new route for structure determination of membrane proteins and targeted drug delivery. We develop here a general analytic model of how MPPN self-assembly depends on bilayer-protein interactions and lipid bilayer mechanical properties. We find that the bilayer-protein hydrophobic thickness mismatch is a key molecular control parameter for MPPN shape that can be used to bias MPPN self-assembly towards highly symmetric and uniform MPPN shapes. Our results suggest strategies for optimizing MPPN shape for structural studies of membrane proteins and targeted drug delivery.

Mixotrophic and autotrophic growth of Thiobacillus acidophilus on glucose and thiosulfate

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

Pronk, J.T.; Meulenberg, R.; van den Berg, D.J.C.

1990-11-01

Mixotrophic growth of the facultatively autotrophic acidophile Thiobacillus acidophilus on mixtures of glucose and thiosulfate or tetrathionate was studied in substrate-limited chemostat cultures. Growth yields in mixotrophic cultures were higher than the sum of the heterotrophic and autographic growth yields. Pulse experiments with thiosulfate indicated that tetrathionate is an intermediate during thiosulfate oxidation by cell suspensions of T. acidophilus. From mixotrophic growth studied, the energetic value of thiosulfate and tetrathionate redox equivalents was estimated to be 50% of that of redox equivalents derived from glucose oxidation. Ribulose 1,5-bisphosphate carboxylase (RuBPCase) activities in cell extracts and rates of sulfur compound oxidationmore » by cell suspensions increased with increasing thiosulfate/glucose ratios in the influent medium of the mixotrophic cultures. Significant RuBPCase and sulfur compound-oxidizing activities were detected in heterotrophically grown T. acidophilus. Polyhedral inclusion bodies (carboxysomes) could be observed at low frequencies in thin sections of cells grown in heterotrophic, glucose-limited chemostat cultures. Highest RuBPCase activities and carboxysome abundancy were observed in cells from autotrophic, CO{sub 2}-limited chemostat cultures. The maximum growth rate at which thiosulfate was still completely oxidized was increased when glucose was utilized simultaneously. This, together with the fact that even during heterotrophic growth the organism exhibited significant activities of enzymes involved in autotrophic metabolism, indicates that T. acidophilus is well adapted to a mixotrophic lifestyle. In this respect, T. acidophilus may have a competitive advantage over autotrophic acidophiles with respect to the sulfur compound oxidation in environments in which organic compounds are present.« less

Fuels and Lubricants for Aircraft

DTIC Science & Technology

1975-02-27

probable but fundamentally possible is the use of hydrides, i.e., compounds of hydrogen "with other elements .(boranes, hydra-zine, ammonia ), alcohols...mixtures; 24. Liquid hydrogen; 25. Nitrogen hydrides and their derivatives ( ammonia , hydrazine, amines, DMH); 26. Boron, Al, Mg, Li, Be and other metals... method . For inflammation to occur, it is necessary that th’e rate of liberation of heat due to exochermic reactions in an initially heated volume of

Reactions of Hydrogen Chloride and Boron Trichloride with Trimethylsilylamino Groups

DTIC Science & Technology

1989-04-04

SUPPLEMENTARY NOTATION 17, COSATI CODES 18. SUBJECT TERMS (Continue on reverse if necessary and kientify by block number) FIELD ,,GROUP SU8 -GROUP...nitride preceramic polymers . Due to the low yield multistage synthesis, alternate routes to isomeric compositions and intermediates needed to be...Organo- metallic Polymers , Zeldin, M., Wynne, K. J., Allcock, H. R.; Ed, ACS Symposium Series 360. (4) Ebsworth, E.A.V. Volatile Silicon Compounds

Enantioselective gamma- and delta-Borylation of Unsaturated Carbonyl Derivatives: Synthesis, Mechanistic Insights, and Applications

NASA Astrophysics Data System (ADS)

Hoang, Gia L.

Chiral boronic esters are valuable synthetic intermediates widely used in a variety of stereospecific transformations. Transition metal-catalyzed asymmetric hydroboration (CAHB) of alkenes is among the most popular methods for their preparation. Enantioselective hydroboration of activated alkenes (i.e., vinyl arene derivatives or conjugated carbonyl compounds) have been extensively studied by many research groups. We, on the other hand, are interested in enantioselective hydroboration of unactivated alkenes utilizing coordinating functional groups (e.g., carbonyl derivatives) to give functionalized, chiral boronic esters. While conjugate addition and C-H activation methodologies provide efficient alternatives to CAHB for enantioselective beta-borylation of carbonyl compounds, direct gamma- and delta-borylations were essentially unknown prior to our wok on CAHB. The gamma-borylated products were used for understanding stereochemical aspects of Suzuki-Miyaura cross-coupling reactions resulting in stereoretention and in contrast to similar beta-borylated carbonyl derivatives reported in literature. Some other selected transformations were carried out to construct a number of biologically relevant structural motifs, such as lignan precursors, 1,4-amino alcohols, gamma-amino acid derivatives, 5-substitued-gamma-lactone and lactam ring systems. In addition, collaborative experimental and computational studies of the enantioselective desymmetrization via CAHB gain a better understanding of the mechanistic pathways.

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.

THE DETERMINATION OF MICROGRAM AND SUB-MICROGRAM AMOUNTS OF BORON. PART I. ABSORPTIOMETRIC DETERMINATION USING CURCUMIN

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

Spicer, G.S.; Strickland, J.D.H.

1958-03-01

Three methods are described for the absorptiometric determination of boron present in alkaline residues in a platinum dish. These are based on the reaction of boric acid and a curcumin reagent to form the red compounds rubrocurcumin and rosocyanin. The first method is suitable for quantities of the element between about 2 and 15 mu g the second is best used when between 0.5 and 4 mu g are present and the third when the highest sensitivity is required, 0.01 to 0.2 mu g. The last method does not involve the use of an oxalic acid promotor and is thoughtmore » to give the maximum sensitivity possible for any absorptiometric technique. The three procedures were developed and have been used over the last decade for the analysis of atomic orough testing under routine conditions. (auth)« less

STUDIES OF THE RADIATION CHEMISTRY OF ORGANIC COMPOUNDS. THE RADIOLYSIS OF METHANOL AND METHANOLIC SOLUTIONS

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

Lichtin, N.N.

1961-02-28

>Installation, equipping, and dosimetry of an 850-curie Schwarz-Allen type Co/sup 60/ source were completed. Dose rates are tabulated for six positions in the source. The dissolution of boron from pyrex by methanol was studied using the curcumin procedure. The results indicated <7 x 10/sup -6/M of boron in the methanol independent of irradiations. The gamma radiolysis of methanol resulted in G-values of: 4.66 plus or minus 0.07, H/sub 2/; 0.27 plus or minus 0.03, CH/sub 4/; 1.94 plus or minus 0.06, CH/sub 2/O; and 2.86 plus or minus 0.05, C/sub 2/H/sub 6/O/sub 2/. An improvement in the trapping of methanolmore » resulted in the reduction of the apparent yield of H/sub 2/ to 3.9. (B.O.G.)« less

Design and Evaluation of a Boron Dipyrrin Electrophore for Redox Flow Batteries.

PubMed

Heiland, Niklas; Cidarér, Clemens; Rohr, Camilla; Piescheck, Mathias; Ahrens, Johannes; Bröring, Martin; Schröder, Uwe

2017-08-29

A boron dipyrrin (BODIPY) dye was designed as a molecular single-component electrophore for redox flow batteries. All positions of the BODIPY core were assessed on the basis of literature data, in particular cyclic voltammetry and density functional calculations, and a minimum required substitution pattern was designed to provide solubility, aggregation, radical cation and anion stabilities, a large potential window, and synthetic accessibility. In-depth electrochemical and physical studies of this electrophore revealed suitable cathodic behavior and stability of the radical anion but rapid anodic decomposition of the radical cation. The three products that formed under the conditions of controlled oxidative electrolysis were isolated, and their structures were determined by spectroscopy and comparison with a synthetic model compound. From these structures, a benzylic radical reactivity, initiated by one-electron oxidation, was concluded to play the major role in this unexpected decomposition. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Simultaneous detection of iodine and iodide on boron doped diamond electrodes.

PubMed

Fierro, Stéphane; Comninellis, Christos; Einaga, Yasuaki

2013-01-15

Individual and simultaneous electrochemical detection of iodide and iodine has been performed via cyclic voltammetry on boron doped diamond (BDD) electrodes in a 1M NaClO(4) (pH 8) solution, representative of typical environmental water conditions. It is feasible to compute accurate calibration curve for both compounds using cyclic voltammetry measurements by determining the peak current intensities as a function of the concentration. A lower detection limit of about 20 μM was obtained for iodide and 10 μM for iodine. Based on the comparison between the peak current intensities reported during the oxidation of KI, it is probable that iodide (I(-)) is first oxidized in a single step to yield iodine (I(2)). The latter is further oxidized to obtain IO(3)(-). This technique, however, did not allow for a reasonably accurate detection of iodate (IO(3)(-)) on a BDD electrode. Copyright © 2012 Elsevier B.V. All rights reserved.

Equation of state for shock compression of distended solids

NASA Astrophysics Data System (ADS)

Grady, Dennis; Fenton, Gregg; Vogler, Tracy

2014-05-01

Shock Hugoniot data for full-density and porous compounds of boron carbide, silicon dioxide, tantalum pentoxide, uranium dioxide and playa alluvium are investigated for the purpose of equation-of-state representation of intense shock compression. Complications of multivalued Hugoniot behavior characteristic of highly distended solids are addressed through the application of enthalpy-based equations of state of the form originally proposed by Rice and Walsh in the late 1950's. Additive measures of cold and thermal pressure intrinsic to the Mie-Gruneisen EOS framework is replaced by isobaric additive functions of the cold and thermal specific volume components in the enthalpy-based formulation. Additionally, experimental evidence reveals enhancement of shock-induced phase transformation on the Hugoniot with increasing levels of initial distension for silicon dioxide, uranium dioxide and possibly boron carbide. Methods for addressing this experimentally observed feature of the shock compression are incorporated into the EOS model.

Equation of State for Shock Compression of High Distension Solids

NASA Astrophysics Data System (ADS)

Grady, Dennis

2013-06-01

Shock Hugoniot data for full-density and porous compounds of boron carbide, silicon dioxide, tantalum pentoxide, uranium dioxide and playa alluvium are investigated for the purpose of equation-of-state representation of intense shock compression. Complications of multivalued Hugoniot behavior characteristic of highly distended solids are addressed through the application of enthalpy-based equations of state of the form originally proposed by Rice and Walsh in the late 1950's. Additivity of cold and thermal pressure intrinsic to the Mie-Gruneisen EOS framework is replaced by isobaric additive functions of the cold and thermal specific volume components in the enthalpy-based formulation. Additionally, experimental evidence supports acceleration of shock-induced phase transformation on the Hugoniot with increasing levels of initial distention for silicon dioxide, uranium dioxide and possibly boron carbide. Methods for addressing this experimentally observed facet of the shock compression are introduced into the EOS model.

Towards reproducible experimental studies for non-convex polyhedral shaped particles

NASA Astrophysics Data System (ADS)

Wilke, Daniel N.; Pizette, Patrick; Govender, Nicolin; Abriak, Nor-Edine

2017-06-01

The packing density and flat bottomed hopper discharge of non-convex polyhedral particles are investigated in a systematic experimental study. The motivation for this study is two-fold. Firstly, to establish an approach to deliver quality experimental particle packing data for non-convex polyhedral particles that can be used for characterization and validation purposes of discrete element codes. Secondly, to make the reproducibility of experimental setups as convenient and readily available as possible using affordable and accessible technology. The primary technology for this study is fused deposition modeling used to 3D print polylactic acid (PLA) particles using readily available 3D printer technology. A total of 8000 biodegradable particles were printed, 1000 white particles and 1000 black particles for each of the four particle types considered in this study. Reproducibility is one benefit of using fused deposition modeling to print particles, but an extremely important additional benefit is that specific particle properties can be explicitly controlled. As an example in this study the volume fraction of each particle can be controlled i.e. the effective particle density can be adjusted. In this study the particle volumes reduces drastically as the non-convexity is increased, however all printed white particles in this study have the same mass within 2% of each other.

Effect of on-site wastewater disposal on quality of ground water and base flow: A pilot study in Chester County, Southeastern Pennsylvania, 2005

USGS Publications Warehouse

Senior, Lisa A.; Cinotto, Peter J.

2007-01-01

On-site wastewater disposal has the potential to introduce contaminants into ground water and subsequently, by ground-water discharge, to streams. A pilot study was conducted during 2005 by the U.S. Geological Survey in cooperation with the Chester County Health Department and the Chester County Water Resources Authority to determine if wastewater components, including inorganic constituents and selected organic wastewater compounds, such as detergents, considered to be emerging contaminants, were present in ground water and stream base flow in areas with on-site wastewater disposal. The study area was a small watershed (about 7.1 square miles) of mixed land use drained by Broad Run in central Chester County, Pa. The area is underlain by fractured metamorphic rocks that form aquifers recharged by precipitation. Surface- and ground-water sampling was done in areas with and without on-site wastewater disposal for comparison, including a relatively densely populated village with cesspools and septic systems, a residential area with septic systems, a residential area served by sewers, and agricultural land. Samples were collected in May-June and September 2005 from eight headwater stream sites under base-flow conditions and in June 2005 from eight wells and two springs. Samples were analyzed for major ions, nutrients, boron, bacteria, and a suite of organic wastewater compounds. Several emerging contaminant wastewater compounds, including detergent components, insect repellents, and flame retardants, were detected in base-flow and ground-water samples. Stream base-flow samples generally contained more compounds and higher concentrations of those compounds than did ground-water samples, and of the ground-water samples, samples from springs contained more compounds and higher concentrations than samples from wells. Concentrations of nitrate, chloride, and boron (inorganic constituents associated with wastewater) generally were all elevated in base-flow and ground-water samples in areas with relatively high densities of on-site wastewater disposal (septic systems or cesspools) compared to other areas sampled. Results of this pilot study should be considered preliminary because of limited data.

Vectorial photoinduced energy transfer between boron-dipyrromethene (Bodipy) chromophores across a fluorene bridge.

PubMed

Puntoriero, Fausto; Nastasi, Francesco; Campagna, Sebastiano; Bura, Thomas; Ziessel, Raymond

2010-08-02

A series of novel multichromophoric, luminescent compounds has been prepared, and their absorption spectra, luminescence properties (both at 77 K in rigid matrix and at 298 K in fluid solution), and photoinduced intercomponent energy-transfer processes have been studied. The series contains two new multichromophoric systems 1 and 2, each one containing two different boron-dipyrromethene (Bodipy) subunits and one bridging fluorene species, and two fluorene-Bodipy bichromophoric species, 6 and 7. Three monochromophoric compounds, 3, 4, and 5, used as precursors in the synthetic process, were also fully characterized. The absorption spectra of the multichromophoric compounds are roughly the summation of the absorption spectra of their individual components, thus demonstrating the supramolecular nature of the assemblies. Luminescence studies show that quantitative energy transfer occurs in 6 and 7 from the fluorene chromophore to the Bodipy dyes. Luminescence studies, complemented by transient-absorption spectroscopy studies, also indicate that efficient inter-Bodipy energy transfer across the rigid fluorene spacer takes place in 1 and 2, with rate constants, evaluated by several experimental methods, between 2.0 and 7.0 x 10(9) s(-1). Such an inter-Bodipy energy transfer appears to be governed by the Förster mechanism. By taking advantage of the presence of various protonable sites in the substituents of the lower-energy Bodipy subunit of 1 and 2, the effect of protonation on the energy-transfer rates has also been investigated. The results suggest that control of energy-transfer rate and efficiency of inter-Bodipy energy transfer in this type of systems can be achieved by an external, reversible input.

Anomalous response of supported few-layer hexagonal boron nitride to DC electric fields: a confined water effect?

NASA Astrophysics Data System (ADS)

Oliveira, Camilla; Matos, Matheus; Mazzoni, Mário; Chacham, Hélio; Neves, Bernardo

2013-03-01

Hexagonal boron nitride (h-BN) is a two-dimensional compound from III-V family, with the atoms of boron and nitrogen arranged in a honeycomb lattice, similar to graphene. Unlike graphene though, h-BN is an insulator material, with a gap larger than 5 eV. Here, we use Electric Force Microscopy (EFM) to study the electrical response of mono and few-layers of h-BN to an electric field applied by the EFM tip. Our results show an anomalous behavior in the dielectric response for h-BN for different bias orientation: for a positive bias applied to the tip, h-BN layers respond with a larger dielectric constant than the dielectric constant of the silicon dioxide substrate; while for a negative bias, the h-BN dielectric constant is smaller than the dielectric constant of the substrate. Based on first-principles calculations, we showed that this anomalous response may be interpreted as a macroscopic consequence of confinement of a thin water layer between h-BN and substrate. These results were confirmed by sample annealing and also also by a comparative analysis with h-BN on a non-polar substrate. All the authors acknowledge financial support from CNPq, Fapemig, Rede Nacional de Pesquisa em Nanotubos de Carbono and INCT-Nano-Carbono.

Bare and boron-doped cubic silicon carbide nanowires for electrochemical detection of nitrite sensitively

PubMed Central

Yang, Tao; Zhang, Liqin; Hou, Xinmei; Chen, Junhong; Chou, Kuo-Chih

2016-01-01

Fabrication of eletrochemical sensors based on wide bandgap compound semiconductors has attracted increasing interest in recent years. Here we report for the first time electrochemical nitrite sensors based on cubic silicon carbide (SiC) nanowires (NWs) with smooth surface and boron-doped cubic SiC NWs with fin-like structure. Multiple techniques including scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and electron energy loss spectroscopy (EELS) were used to characterize SiC and boron-doped SiC NWs. As for the electrochemical behavior of both SiC NWs electrode, the cyclic voltammetric results show that both SiC electrodes exhibit wide potential window and excellent electrocatalytic activity toward nitrite oxidation. Differential pulse voltammetry (DPV) determination reveals that there exists a good linear relationship between the oxidation peak current and the concentration in the range of 50–15000 μmoL L−1 (cubic SiC NWs) and 5–8000 μmoL L−1 (B-doped cubic SiC NWs) with the detection limitation of 5 and 0.5 μmoL L−1 respectively. Compared with previously reported results, both as-prepared nitrite sensors exhibit wider linear response range with comparable high sensitivity, high stability and reproducibility. PMID:27109361

An efficient process for obtaining prebiotic oligosaccharides derived from lactulose using isomerized and purified whey permeate.

PubMed

Sabater, Carlos; Olano, Agustín; Prodanov, Marin; Montilla, Antonia; Corzo, Nieves

2017-12-01

One of the most promising uses of whey permeate (WP) is the synthesis of prebiotic oligosaccharides. Herein, commercial WP was submitted to chemical isomerization catalysed by sodium borate at an alkaline pH and subsequent purification using anion-exchange resins to remove boron. Subsequently, purified mixtures were used to synthesize prebiotic oligosaccharides using β-galactosidase from Bacillus circulans. Isomerization of concentrated WP (200 g L -1 lactose) gave rise to levels of lactulose up to 155.5 g L -1 after 30 min of reaction (molar ratio of boron/lactose, 1/1; pH 12; 70 °C). Boron was removed from the isomerized WP (IWP) using the combination of a strong acid (IR-120, H + ) and a weak base (IRA-743) anion-exchange resins, reducing its level to <1 ppm, without loss of lactulose. During the transglycosylation reaction of purified IWP (lactose/lactulose ratio, 1/2.4) maximum content of prebiotic compounds was achieved, i.e. 690 g kg -1 WP after 3 h of reaction. This study shows that combined chemical-enzymatic reactions together with the purification of IWP results in an efficient synthesis of prebiotic oligosaccharides. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

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.

Multifunctional Mesoporous Ionic Gels and Scaffolds Derived from Polyhedral Oligomeric Silsesquioxanes.

PubMed

Lee, Jin Hong; Lee, Albert S; Lee, Jong-Chan; Hong, Soon Man; Hwang, Seung Sang; Koo, Chong Min

2017-02-01

A new methodology for fabrication of inorganic-organic hybrid ionogels and scaffolds is developed through facile cross-linking and solution extraction of a newly developed ionic polyhedral oligomeric silsesquioxane with inorganic core. Through design of various cationic tertiary amines, as well as cross-linkable functional groups on each arm of the inorganic core, high-performance ionogels are fabricated with excellent electrochemical stability and unique ion conduction behavior, giving superior lithium ion battery performance. Moreover, through solvent extraction of the liquid components, hybrid scaffolds with well-defined, interconnected mesopores are utilized as heterogeneous catalysts for the CO 2 -catalyzed cycloaddition of epoxides. Excellent catalytic performance, as well as highly efficient recyclability are observed when compared to other previous literature materials.

Properties of PMR Polyimides Improved by Preparation of Polyhedral Oligomeric Silsesquioxane (POSS) Nanocomposites

NASA Technical Reports Server (NTRS)

Campbell, Sandi G.; Lee, Andre

2005-01-01

The field of hybrid organic-inorganic materials has grown drastically over the last several years. This interest stems from our ever-increasing ability to custom-build and control molecular structure at several length scales. This ability to control both the composition and structure of hybrid materials is sometimes broadly referred to as nanocomposite systems. One class of hybrid (organic-inorganic) nanostructured material is polyhedral oligomeric silsesquioxane (POSS), shown in the preceding diagram. The hybrid composition gives POSS materials dramatically enhanced properties relative to traditional hydrocarbons and inorganics. An important benefit of this technology is that it makes possible the formulations of nanostructured chemicals with excellent thermal and oxidative stability. This is largely due to the inorganic component.

Settlement statistics of a granular layer composed of polyhedral particles

NASA Astrophysics Data System (ADS)

Quezada, Juan Carlos; Saussine, Gilles; Breul, Pierre; Radjai, Farhang

2013-06-01

We use 3D contact dynamics simulations to investigate the mechanical equilibrium and settlement of a granular material composed of irregular polyhedral particles confined between two horizontal frictional planes. We show that, as a consequence of mobilized wall-particle friction force at the top and bottom boundaries, the transient deformation induced by a constant vertical load increment is controlled by the aspect ratio (thickness over width) of the packing as well as the stress ratio. The transient deformation declines considerably for increasingly smaller aspect ratios and grows with the stress ratio. From the simulation data for a large number of independent configurations, we find that sample-to-sample fluctuations of the deformation have a broad distribution and they scale with the average deformation.

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

A two-color fluorogenic carbene complex for tagging olefins via metathesis reaction

NASA Astrophysics Data System (ADS)

Wirtz, Marcel; Grüter, Andreas; Heib, Florian; Huch, Volker; Zapp, Josef; Herten, Dirk-Peter; Schmitt, Michael; Jung, Gregor

2015-12-01

We describe a fluorogenic ruthenium (II) carbene complex in which the chromophore is directly connected to the metal center. The compound introduces a boron dipyrromethene (BODIPY) moiety into target double bonds by metathesis. Tagging of terminal double bonds is demonstrated on immobilized styrene units on a glass surface. We also show that two compounds with distinguishable fluorescence properties are formed in the model reaction with styrene. The outcome of the metathesis reaction is characterized by 19F-NMR, optical spectroscopy, and, finally, single-molecule trajectories. This labeling scheme, in our perception, is of particular interest in the fields of interfacial science and biorthogonal ligation in combination with super-resolution imaging.

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.

Preparation and evaluation of a novel hybrid monolithic column based on pentafluorobenzyl imidazolium bromide ionic liquid.

PubMed

Shan, Yuanhong; Qiao, Lizhen; Shi, Xianzhe; Xu, Guowang

2015-01-02

To develop a novel hybrid monolithic column based on pentafluorobenzyl imidazolium bromide ionic liquid, a new ionic liquid monomer was synthesized from 1-vinylimidazole and pentafluorobenzyl bromide. By employing a facile one-step copolymerization of polyhedral-oligomeric-silsesquioxane-type (POSS) cross-linking agent and the home-made ionic liquid monomer, the hybrid monolithic columns were in situ fabricated in fused-silica capillary. The morphology of monolithic column was characterized by scanning electron microscope (SEM) and the chemical composition was confirmed by Fourier-transform infrared spectroscopy (FT-IR) and elemental analysis. Excellent mechanical stability and slight swelling propensity were exhibited which was ascribed to the rigid hybrid monolithic skeleton. Reproducibility results of run-to-run, column-to-column, batch-to-batch and day-to-day were investigated and the RSDs were less than 0.46%, 1.84%, 3.96% and 3.17%, respectively. The mixed-mode retention mechanism with hydrophobic interaction, π-π stacking, ion-exchange, electrostatic interaction and dipole-dipole interaction was explored systematically using analytes with different structure types. Satisfied separation capability and column efficiency were achieved for the analysis of small molecular compounds such as alkylbenzenes, polycyclic aromatic hydrocarbons, nucleosides and halogenated compounds. Copyright © 2014 Elsevier B.V. All rights reserved.

High-throughput screening for thermoelectric sulphides by using crystal structure features as descriptors

NASA Astrophysics Data System (ADS)

Zhang, Ruizhi; Du, Baoli; Chen, Kan; Reece, Mike; Materials Research Insititute Team

With the increasing computational power and reliable databases, high-throughput screening is playing a more and more important role in the search of new thermoelectric materials. Rather than the well established density functional theory (DFT) calculation based methods, we propose an alternative approach to screen for new TE materials: using crystal structural features as 'descriptors'. We show that a non-distorted transition metal sulphide polyhedral network can be a good descriptor for high power factor according to crystal filed theory. By using Cu/S containing compounds as an example, 1600+ Cu/S containing entries in the Inorganic Crystal Structure Database (ICSD) were screened, and of those 84 phases are identified as promising thermoelectric materials. The screening results are validated by both electronic structure calculations and experimental results from the literature. We also fabricated some new compounds to test our screening results. Another advantage of using crystal structure features as descriptors is that we can easily establish structural relationships between the identified phases. Based on this, two material design approaches are discussed: 1) High-pressure synthesis of metastable phase; 2) In-situ 2-phase composites with coherent interface. This work was supported by a Marie Curie International Incoming Fellowship of the European Community Human Potential Program.

Boron neutron capture therapy for recurrent high-grade meningiomas.

PubMed

Kawabata, Shinji; Hiramatsu, Ryo; Kuroiwa, Toshihiko; Ono, Koji; Miyatake, Shin-Ichi

2013-10-01

Similar to glioblastomas, high-grade meningiomas are difficult pathologies to control. In this study, the authors used boron neutron capture therapy (BNCT), a tumor-selective intensive particle radiation modality, to treat high-grade meningioma. From June 2005 to September 2011, BNCT was applied 28 times in 20 cases of recurrent high-grade meningioma. All patients had previously undergone intensive treatments such as repetitive surgeries and multiple sessions of radiation therapy. Fluorine-18-labeled boronophenylalanine ((18)F-BPA) PET was performed before BNCT in 19 of the 20 cases; BPA is itself a therapeutic compound. Compound uptake, tumor shrinkage, long-term control rate including survival time, and failure pattern of the treated patients were all evaluated. Eighteen of 19 cases studied using (18)F-BPA PET showed good BPA uptake, with ratios of tumor to normal brain greater than 2.7. These ratios indicated the likely effects of BNCT prior to neutron irradiation. The original tumor sizes were between 4.3 cm(3) and 109 cm(3). A mean tumor volume reduction of 64.5% was obtained after BNCT within just 2 months. The median follow-up duration was 13 months. Six patients are still alive; at present, the median survival times after BNCT and diagnosis are 14.1 months (95% CI 8.6-40.4 months) and 45.7 months (95% CI 32.4-70.7 months), respectively. Clinical symptoms before BNCT, such as hemiparesis and facial pain, were improved after BNCT in symptomatic cases. Systemic metastasis, intracranial distant recurrence outside the radiation field, CSF dissemination, and local tumor progression were observed in 6, 7, 3, and 3 cases, respectively, during the clinical course. Apparent pseudoprogression was observed in at least 3 cases. Symptomatic radiation injuries occurred in 6 cases, and were controllable in all but 1 case. Boron neutron capture therapy may be especially effective in cases of high-grade meningioma.

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.

The complex metal-rich boride Ti1+xRh2-x+yIr3-yB3 (x=0.68, y=1.06) with a new structure type containing B4 zigzag fragments: Synthesis, crystal chemistry and theoretical calculations

NASA Astrophysics Data System (ADS)

Goerens, Christian; Fokwa, Boniface P. T.

2012-08-01

Polycrystalline samples and single crystals of the new complex boride Ti1+xRh2-x+yIr3-yB3 (x=0.68; y=1.06) were synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere and characterized by X-Ray diffraction as well as EDX measurements. The crystal structure was refined on the basis of single crystal data. The new phase, which represents a new structure type containing trans zigzag B4 fragments as well as isolated boron atoms crystallizes in the orthorhombic space group Pbam (Nr. 55) with the lattice parameters a=8.620(1) Å, b=14.995(2) Å and c=3.234(1) Å. First-principles density functional theory calculations using the Vienna ab-initio simulation package (VASP) were performed on an appropriate structural model (using a supercell approach) and the experimental crystallographic data could be reproduced accurately. Based on this model, the density of states and crystal orbital Hamilton population (for bonding analysis) were calculated, using the linear muffin-tin orbital atomic sphere approximation (LMTO-ASA) method. According to these calculations, this metal-rich compound should be metallic, as expected. Furthermore, very strong boron-boron interactions are observed in the trans zigzag B4 fragment, which induce a clear differentiation of two types of metal-boron contacts with different strength. The observed three-dimensional metal-metal interaction is in good agreement with the predicted metallic behavior.

Protective effect of boric acid on lead- and cadmium-induced genotoxicity in V79 cells.

PubMed

Ustündağ, Aylin; Behm, Claudia; Föllmann, Wolfram; Duydu, Yalçin; Degen, Gisela H

2014-06-01

The toxic heavy metals cadmium (Cd) and lead (Pb) are important environmental pollutants which can cause serious damage to human health. As the metal ions (Cd(2+) and Pb(2+)) accumulate in the organism, there is special concern regarding chronic toxicity and damage to the genetic material. Metal-induced genotoxicity has been attributed to indirect mechanisms, such as induction of oxidative stress and interference with DNA repair. Boron is a naturally occurring element and considered to be an essential micronutrient, although the cellular activities of boron compounds remain largely unexplored. The present study has been conducted to evaluate potential protective effects of boric acid (BA) against genotoxicity induced by cadmium chloride (CdCl2) and lead chloride (PbCl2) in V79 cell cultures. Cytotoxicity assays (neutral red uptake and cell titer blue assay) served to determine suitable concentrations for subsequent genotoxicity assays. Chromosomal damage and DNA strand breaks were assessed by micronucleus tests and comet assays. Both PbCl2 and CdCl2 (at 3, 5 and 10 µM) were shown to induce concentration-dependent increases in micronucleus frequencies and DNA strand breaks in V79 cells. BA itself was not cytotoxic (up to 300 µM) and showed no genotoxic effects. Pretreatment of cells with low levels of BA (2.5 and 10 µM) was found to strongly reduce the genotoxic effects of the tested metals. Based on the findings of this in vitro study, it can be suggested that boron provides an efficient protection against the induction of DNA strand breaks and micronuclei by lead and cadmium. Further studies on the underlying mechanisms for the protective effect of boron are needed.

An international dosimetry exchange for BNCT part II: computational dosimetry normalizations.

PubMed

Riley, K J; Binns, P J; Harling, O K; Albritton, J R; Kiger, W S; Rezaei, A; Sköld, K; Seppälä, T; Savolainen, S; Auterinen, I; Marek, M; Viererbl, L; Nievaart, V A; Moss, R L

2008-12-01

The meaningful sharing and combining of clinical results from different centers in the world performing boron neutron capture therapy (BNCT) requires improved precision in dose specification between programs. To this end absorbed dose normalizations were performed for the European clinical centers at the Joint Research Centre of the European Commission, Petten (The Netherlands), Nuclear Research Institute, Rez (Czech Republic), VTT, Espoo (Finland), and Studsvik, Nyköping (Sweden). Each European group prepared a treatment plan calculation that was bench-marked against Massachusetts Institute of Technology (MIT) dosimetry performed in a large, water-filled phantom to uniformly evaluate dose specifications with an estimated precision of +/-2%-3%. These normalizations were compared with those derived from an earlier exchange between Brookhaven National Laboratory (BNL) and MIT in the USA. Neglecting the uncertainties related to biological weighting factors, large variations between calculated and measured dose are apparent that depend upon the 10B uptake in tissue. Assuming a boron concentration of 15 microg g(-1) in normal tissue, differences in the evaluated maximum dose to brain for the same nominal specification of 10 Gy(w) at the different facilities range between 7.6 and 13.2 Gy(w) in the trials using boronophenylalanine (BPA) as the boron delivery compound and between 8.9 and 11.1 Gy(w) in the two boron sulfhydryl (BSH) studies. Most notably, the value for the same specified dose of 10 Gy(w) determined at the different participating centers using BPA is significantly higher than at BNL by 32% (MIT), 43% (VTT), 49% (JRC), and 74% (Studsvik). Conversion of dose specification is now possible between all active participants and should be incorporated into future multi-center patient analyses.

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.

Synthesis of internally functionalized silica nanoparticles for theranostic applications

NASA Astrophysics Data System (ADS)

Walton, Nathan Isaac

This thesis addresses the synthesis and characterization of novel inorganic silica nanoparticle hybrids. It focuses in large part on their potential applications in the medical field. Silica acts as a useful carrier for a variety of compounds and this thesis silica will demonstrate its use as a carrier for boron or gadolinium. Boron-10 and gadolinium-157 have been suggested for the radiological treatment of tumor cells through the process called neutron capture therapy (NCT). Gadolinium is also commonly used as a Magnetic Resonance Imaging (MRI) contrast agent. Particles that carry it have potential theranostic applications of both imaging and treating tumors. Chapter 1 presents a background on synthetic strategies and usages of silica nanoparticles, and NCT theory. Chapter 2 describes a procedure to create mesoporous metal chelating silica nanoparticles, mDTTA. This is achieved via a co-condensation of tetraethoxysilane (TEOS) and 3-trimethoxysilyl-propyl diethylenetriamine (SiDETA) followed by a post-synthesis modification step with bromoacetic acid (BrAA). These particles have a large surface area and well-defined pores of ~2 nm. The mDTTA nanoparticles were used to chelate the copper(II), cobalt(II) and gadolinium(III). The chelating of gadolinium is the most interesting since it can be used as a MRI contrast agent and a neutron capture therapeutic. The synthetic procedure developed also allows for the attachment of a fluorophore that gives the gadolinium chelating mDTTA nanoparticles a dual imaging modality. Chapter 3 presents the synthetic method used to produce two classes of large surface area organically modified silica (ORMOSIL) nanoparticles. Condensating the organosilane vinyltrimethoxysilane in a micellar solution results in nanoparticles that are either surface rough (raspberry-like) or mesoporous nanoparticles, which prior to this thesis has not been demonstrated in ORMOSIL chemistry. Furthermore, the vinyl functionalities are modified, using hydroboration, to make the nanoparticles into water-dispersible boron carriers that also have potential boron neutron capture therapy (BNCT) applications. Lastly, Chapter 4 provides a general description of NCT, specifically that involving boron-10 and gadolinium-157. It further describes the synthetic methodology used in producing fatty acid coated boron nanoparticles (BNPs). The BNPs are encapsulated with silica to add a hydrophilic shell so that they can potentially be used in biological systems as BNCT agents. The silica shell is also modified with a fluorophore, dansyl chloride, so that the particle hybrid could be imaged during cell studies.

Data-driven discovery of energy materials: efficient BaM2Si3O10 : Eu2+ (M = Sc, Lu) phosphors for application in solid state white lighting.

PubMed

Brgoch, Jakoah; Hasz, Kathryn; Denault, Kristin A; Borg, Christopher K H; Mikhailovsky, Alexander A; Seshadri, Ram

2014-01-01

In developing phosphors for application in solid state lighting, it is advantageous to target structures from databases with highly condensed polyhedral networks that produce rigid host compounds. Rigidity limits channels for non-radiative decay that will decrease the luminescence quantum yield. BaM(2)Si(3)O(10) (M = Sc, Lu) follows this design criterion and is studied here as an efficient Eu(2+)-based phosphor. M = Sc(3+) and Lu(3+) compounds with Eu(2+) substitution were prepared and characterized using synchrotron X-ray powder diffraction and photoluminescence spectroscopy. Substitution with Eu(2+) according to Ba(1-x)Eu(x)Sc(2)Si(3)O(10) and Ba(1-x)Eu(x)Lu(2)Si(3)O(10) results in UV-to-blue and UV-to-blue-green phosphors, respectively. Interestingly, substitution with Eu(2+) in the Lu(3+) containing material produces two emission peaks at low temperature and with 365 nm excitation, as allowed by the two substitution sites. The photoluminescence of the Sc(3+) compound is robust at high temperature, decreasing by only 25% of its room temperature intensity at 503 K, while the Lu-analogue suffers a large drop (75%) from its room temperature intensity. The decrease in emission intensity is explained as stemming from charge transfer quenching due to the short distances separating the luminescent centers on the Lu(3+) substitution site. The correlation between structure and optical response in these two compounds indicates that even though the structures are three-dimensionally connected, high symmetry is required to prevent structural distortions that could impact photoluminescence.

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.

Glucose sensing molecules having selected fluorescent properties

DOEpatents

Satcher, Jr., Joe H.; Lane, Stephen M.; Darrow, Christopher B.; Cary, Douglas R.; Tran, Joe Anh

2004-01-27

An analyte sensing fluorescent molecule that employs intramolecular electron transfer is designed to exhibit selected fluorescent properties in the presence of analytes such as saccharides. The selected fluorescent properties include excitation wavelength, emission wavelength, fluorescence lifetime, quantum yield, photostability, solubility, and temperature or pH sensitivity. The compound comprises an aryl or a substituted phenyl boronic acid that acts as a substrate recognition component, a fluorescence switch component, and a fluorophore. The fluorophore and switch component are selected such that the value of the free energy for electron transfer is less than about 3.0 kcal mol.sup.-1. Fluorescent compounds are described that are excited at wavelengths greater than 400 nm and emit at wavelengths greater than 450 nm, which is advantageous for optical transmission through skin. The fluorophore is typically selected from transition metal-ligand complexes and thiazine, oxazine, oxazone, or oxazine-one as well as anthracene compounds. The fluorescent compound can be immobilized in a glucose permeable biocompatible polymer matrix that is implantable below the skin.

Long-Term Fate of Organic Micropollutants in Sewage-Contaminated Groundwater

USGS Publications Warehouse

Barber, L.B.; Schroeder, M.P.; LeBlanc, D.R.

1988-01-01

Disposal of secondary sewage effluent by rapid infiltration has produced a plume of contaminated groundwater over 3500 m long near Falmouth, MA. Approximately 50 volatile organic compounds were detected and identified in the plume, at concentrations ranging from 10 ng/L to 500 ??g/L, by closed-loop stripping and purge- and-trap in conjuction with gas chromatography-mass spectrometry. The dominant contaminants were di-, tri- and tetrachloroethene, o- and p-dichlorobenzene, C1 to C6 alkylbenzenes, 2,6-di-tert-butylbenzoquinone, and several isomers of p-nonylphenol. The chloroethenes and chlorobenzenes had the same general distribution as chloride and boron and appear to be transported with little retardation. Less soluble compounds, such as nonylphenol and di-tert-butylbenzoquinone, appear to be retarded during subsurface transport by sorption processes. Although biodegradation of labile organic compounds occurs near the infiltration beds, many trace compounds, including chlorinated benzenes, alkylbenzenes, and aliphatic hydrocarbons, have persisted for more than 30 years in the aquifer.

Movement and Fate of Solutes in a Plume of Sewage-Contaminated Ground Water, Cape Cod, Massachusetts: U.S. Geological Survey Toxic Waste Ground-Water Contamination Program

DTIC Science & Technology

1984-03-01

contains many inorganic and organic chemicals such as sodium , nitrate, detergents, and volatile organic compounds which can be toxic and render a ground­...1983-- 51 24 . sodium in ground water, 1983---------------------------- 53 25 . chloride in ground water, 1983-------------------------- 54 26...contains elevated concentrations of chloride, sodium , boron, nitrogen, detergents, and other constituents of the treated sewage. The plume was

Tetracoordinate Imidazole-Based Boron Complexes for the Selective Detection of Picric Acid.

PubMed

Dhanunjayarao, Kunchala; Mukundam, Vanga; Venkatasubbaiah, Krishnan

2016-11-07

N,N-Dimethylamine and N,N-diphenylamine-decorated highly fluorescent imidazole borates have been synthesized and investigated as new fluorophores for the selective detection of trinitrophenol/picric acid (PA). Structural studies of a probe 1 and PA (1·PA) complex revealed that the adduct formed by the deprotonation of PA by the -NMe 2 group along with weak interactions is responsible for the selective detection of PA over other polynitrated organic compounds.

Electronic structure and chemical bonding of the electron-poor II-V semiconductors ZnSb and ZnAs

NASA Astrophysics Data System (ADS)

Benson, Daryn; Sankey, Otto F.; Häussermann, Ulrich

2011-09-01

The binary compounds ZnSb and ZnAs with the CdSb structure are semiconductors (II-V), although the average electron concentration (3.5 per atom) is lower than that of the tetrahedrally bonded III-V and II-VI archetype systems (four per atom). We report a detailed electronic structure and chemical bonding analysis for ZnSb and ZnAs based on first-principles calculations. ZnSb and ZnAs are compared to the zinc blende-type semiconductors GaSb, ZnTe, GaAs, and ZnSe, as well as the more ionic, hypothetical, II-V systems MgSb and MgAs. We establish a clearly covalent bonding scenario for ZnSb and ZnAs where multicenter bonded structural entities (rhomboid rings Zn2Sb2 and Zn2As2) are connected to each other by classical two-center, two-electron bonds. This bonding scenario is only compatible with a weak ionicity in II-V semiconductor systems, and weak ionicity appears as a necessary condition for the stability of the CdSb structure type. It is argued that a chemical bonding scenario with mixed multicenter and two-center bonding resembles that of boron and boron-rich compounds and is typical of electron-poor sp-bonded semiconductors with average valence electron concentrations below four per atom.

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