WorldWideScience

Sample records for californium 246

  1. Californium-252 progress, report No. 7, April 1971

    Energy Technology Data Exchange (ETDEWEB)

    1971-12-31

    This report contains discusses of the following topics on Californium-252: First sales of californium-252; encapsulation services discussed; three new participants in market evaluation program; summer training programs to use californium; Californium-252 shipping casks available; Californium-252 questions and answers, radiotherapy; neutron radiography; natural resources exploration; nuclear safeguards; process control; dosimetry; neutron radiography; neutron shielding; and nuclear safeguards.

  2. Historical review of californium-252 discovery and development

    Science.gov (United States)

    Stoddard, D. H.

    This paper discusses the discovery and history of californium 252. This isotope may be synthesized by irradiating plutonium 239, plutonium 242, americium 243, or curium 244 with neutrons in a nuclear reactor. Various experiments and inventions involving (252)Cf conducted at the Savannah River Plant are discussed. The evolution of radiotherapy using californium 252 is reviewed.

  3. Californium-252: a remarkable versatile radioisotope

    Energy Technology Data Exchange (ETDEWEB)

    Osborne-Lee, I.W.; Alexander, C.W.

    1995-10-10

    A product of the nuclear age, Californium-252 ({sup 252}Cf) has found many applications in medicine, scientific research, industry, and nuclear science education. Californium-252 is unique as a neutron source in that it provides a highly concentrated flux and extremely reliable neutron spectrum from a very small assembly. During the past 40 years, {sup 252}Cf has been applied with great success to cancer therapy, neutron radiography of objects ranging from flowers to entire aircraft, startup sources for nuclear reactors, fission activation for quality analysis of all commercial nuclear fuel, and many other beneficial uses, some of which are now ready for further growth. Californium-252 is produced in the High Flux Isotope Reactor (HFIR) and processed in the Radiochemical Engineering Development Center (REDC), both of which are located at the Oak Ridge National Laboratory (ORNL) in Oak Ridge, Tennessee. The REDC/HFIR facility is virtually the sole supplier of {sup 252}Cf in the western world and is the major supplier worldwide. Extensive exploitation of this product was made possible through the {sup 252}Cf Market Evaluation Program, sponsored by the United States Department of Energy (DOE) [then the Atomic Energy Commission (AEC) and later the Energy Research and Development Administration (ERDA)]. This program included training series, demonstration centers, seminars, and a liberal loan policy for fabricated sources. The Market Evaluation Program was instituted, in part, to determine if large-quantity production capability was required at the Savannah River Laboratory (SRL). Because of the nature of the product and the means by which it is produced, {sup 252}Cf can be produced only in government-owned facilities. It is evident at this time that the Oak Ridge research facility can meet present and projected near-term requirements. The production, shipment, and sales history of {sup 252}Cf from ORNL is summarized herein.

  4. Production, Distribution, and Applications of Californium-252 Neutron Sources

    Energy Technology Data Exchange (ETDEWEB)

    Balo, P.A.; Knauer, J.B.; Martin, R.C.

    1999-10-03

    The radioisotope {sup 252}Cf is routinely encapsulated into compact, portable, intense neutron sources with a 2.6-year half-life. A source the size of a person's little finger can emit up to 10{sup 11} neutrons/s. Californium-252 is used commercially as a reliable, cost-effective neutron source for prompt gamma neutron activation analysis (PGNAA) of coal, cement, and minerals, as well as for detection and identification of explosives, laud mines, and unexploded military ordnance. Other uses are neutron radiography, nuclear waste assays, reactor start-up sources, calibration standards, and cancer therapy. The inherent safety of source encapsulations is demonstrated by 30 years of experience and by U.S. Bureau of Mines tests of source survivability during explosions. The production and distribution center for the U. S Department of Energy (DOE) Californium Program is the Radiochemical Engineering Development Center (REDC) at Oak Ridge National Laboratory (ORNL). DOE sells The radioisotope {sup 252}Cf is routinely encapsulated into compact, portable, intense neutron sources with a 2.6- year half-life. A source the size of a person's little finger can emit up to 10 neutrons/s. Californium-252 is used commercially as a reliable, cost-effective neutron source for prompt gamma neutron activation analysis (PGNAA) of coal, cement, and minerals, as well as for detection and identification of explosives, laud mines, and unexploded military ordnance. Other uses are neutron radiography, nuclear waste assays, reactor start-up sources, calibration standards, and cancer therapy. The inherent safety of source encapsulations is demonstrated by 30 years of experience and by U.S. Bureau of Mines tests of source survivability during explosions. The production and distribution center for the U. S Department of Energy (DOE) Californium Program is the Radiochemical Engineering Development Center (REDC) at Oak Ridge National Laboratory(ORNL). DOE sells {sup 252}Cf to commercial

  5. Unusual structure, bonding and properties in a californium borate

    Energy Technology Data Exchange (ETDEWEB)

    Polinski, Matthew J.; Garner, Edward B.; Maurice, Rémi; Planas, Nora; Stritzinger, Jared T.; Parker, T. Gannon; Cross, Justin N.; Green, Thomas D.; Alekseev, Evgeny V.; Van Cleve, Shelley M.; Depmeier, Wulf; Gagliardi, Laura; Shatruk, Michael; Knappenberger, Kenneth L.; Liu, Guokui; Skanthakumar, S.; Soderholm, Lynda; Dixon, David A.; Albrecht-Schmitt, Thomas E.

    2014-03-23

    The participation of the valence orbitals of actinides in bonding has been debated for decades. Recent experimental and computational investigations demonstrated the involvement of 6p, 6d and/or 5f orbitals in bonding. However, structural and spectroscopic data, as well as theory, indicate a decrease in covalency across the actinide series, and the evidence points to highly ionic, lanthanide-like bonding for late actinides. Here we show that chemical differentiation between californium and lanthanides can be achieved by using ligands that are both highly polarizable and substantially rearrange on complexation. A ligand that suits both of these desired properties is polyborate. We demonstrate that the 5f, 6d and 7p orbitals are all involved in bonding in a Cf(III) borate, and that large crystal-field effects are present. Synthetic, structural and spectroscopic data are complemented by quantum mechanical calculations to support these observations.

  6. Biomedical neutron research at the Californium User Facility for neutron science

    Energy Technology Data Exchange (ETDEWEB)

    Martin, R.C. [Oak Ridge National Lab., TN (United States); Byrne, T.E. [Roane State Community College, Harriman, TN (United States); Miller, L.F. [Univ. of Tennessee, Knoxville, TN (United States)

    1997-04-01

    The Californium User Facility for Neutron Science has been established at Oak Ridge National Laboratory (ORNL). The Californium User Facility (CUF) is a part of the larger Californium Facility, which fabricates and stores compact {sup 252}Cf neutron sources for worldwide distribution. The CUF can provide a cost-effective option for research with {sup 252}Cf sources. Three projects at the CUF that demonstrate the versatility of {sup 252}Cf for biological and biomedical neutron-based research are described: future establishment of a {sup 252}Cf-based neutron activation analysis system, ongoing work to produce miniature high-intensity, remotely afterloaded {sup 252}Cf sources for tumor therapy, and a recent experiment that irradiated living human lung cancer cells impregnated with experimental boron compounds to test their effectiveness for boron neutron capture therapy.

  7. Apparatus for the measurement of total body nitrogen using prompt neutron activation analysis with californium-252.

    Science.gov (United States)

    Mackie, A; Hannan, W J; Smith, M A; Tothill, P

    1988-01-01

    Details of clinical apparatus designed for the measurement of total body nitrogen (as an indicator of body protein), suitable for the critically ill, intensive-care patient are presented. Californium-252 radio-isotopic neutron sources are used, enabling a nitrogen measurement by prompt neutron activation analysis to be made in 40 min with a precision of +/- 3.2% for a whole body dose equivalent of 0.145 mSv. The advantages of Californium-252 over alternative neutron sources are discussed. A comparison between two irradiation/detection geometries is made, leading to an explanation of the geometry adopted for the apparatus. The choice of construction and shielding materials to reduce the count rate at the detectors and consequently to reduce the pile-up contribution to the nitrogen background is discussed. Salient features of the gamma ray spectroscopy system to reduce spectral distortion from pulse pile-up are presented.

  8. Safety Analysis Report for Packaging (SARP) of the Oak Ridge National Laboratory TRU Californium Shipping Container

    Energy Technology Data Exchange (ETDEWEB)

    Box, W.D.; Shappert, L.B.; Seagren, R.D.; Klima, B.B.; Jurgensen, M.C.; Hammond, C.R.; Watson, C.D.

    1980-01-01

    An analytical evaluation of the Oak Ridge National Laboratory TRU Californium Shipping Container was made in order to demonstrate its compliance with the regulations governing off-site shipment of packages that contain radioactive material. The evaluation encompassed five primary categories: structural integrity, thermal resistance, radiation shielding, nuclear criticality safety, and quality assurance. The results of this evaluation demonstrate that the container complies with the applicable regulations.

  9. 48 CFR 246.705 - Limitations.

    Science.gov (United States)

    2010-10-01

    ... OF DEFENSE CONTRACT MANAGEMENT QUALITY ASSURANCE Warranties 246.705 Limitations. (a) In addition to the exceptions provided in FAR 46.705(a), warranties in the clause at 252.246-7001, Warranty of Data...

  10. 48 CFR 246.701 - Definitions.

    Science.gov (United States)

    2010-10-01

    ... OF DEFENSE CONTRACT MANAGEMENT QUALITY ASSURANCE Warranties 246.701 Definitions. Acceptance, as defined in FAR 46.701 and as used in this subpart and in the warranty clauses at FAR 52.246-17, Warranty of Supplies of a Noncomplex Nature; FAR 52.246-18, Warranty of Supplies of a Complex Nature; FAR 52...

  11. 48 CFR 246.710 - Contract clauses.

    Science.gov (United States)

    2010-10-01

    ... OF DEFENSE CONTRACT MANAGEMENT QUALITY ASSURANCE Warranties 246.710 Contract clauses. (1) Use a clause substantially the same as the clause at 252.246-7001, Warranty of Data, in solicitations and... warranty clauses prescribed in FAR Part 46. (2) Use the clause at 252.246-7001, Warranty of Data, with its...

  12. 7 CFR 246.11 - Nutrition education.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 4 2010-01-01 2010-01-01 false Nutrition education. 246.11 Section 246.11 Agriculture... Participant Benefits § 246.11 Nutrition education. (a) General. (1) Nutrition education shall be considered a benefit of the Program, and shall be made available at no cost to the participant. Nutrition education...

  13. 37 CFR 2.46 - Principal Register.

    Science.gov (United States)

    2010-07-01

    ... 37 Patents, Trademarks, and Copyrights 1 2010-07-01 2010-07-01 false Principal Register. 2.46 Section 2.46 Patents, Trademarks, and Copyrights UNITED STATES PATENT AND TRADEMARK OFFICE, DEPARTMENT OF COMMERCE RULES OF PRACTICE IN TRADEMARK CASES The Written Application § 2.46 Principal Register. All...

  14. 42 CFR 412.246 - MGCRB members.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 2 2010-10-01 2010-10-01 false MGCRB members. 412.246 Section 412.246 Public... Board Composition and Procedures § 412.246 MGCRB members. (a) Composition. The Medicare Geographical Classification Review Board (MGCRB) consists of five members, including a Chairman, all of whom are appointed by...

  15. 32 CFR 246.5 - Responsibilities.

    Science.gov (United States)

    2010-07-01

    ... 32 National Defense 2 2010-07-01 2010-07-01 false Responsibilities. 246.5 Section 246.5 National... STARS AND STRIPES (S&S) NEWSPAPER AND BUSINESS OPERATIONS § 246.5 Responsibilities. (a) The Assistant to... operations that involve more than one area of responsibility. (5) Chair, as required, at the Deputy Assistant...

  16. Decay study of 246Fm at SHIP

    Science.gov (United States)

    Venhart, M.; Heßberger, F. P.; Ackermann, D.; Antalic, S.; Gray-Jones, C.; Greenlees, P. T.; Heinz, S.; Herzberg, R.-D.; Hofmann, S.; Ketelhut, S.; Kindler, B.; Kojouharov, I.; Leino, M.; Lommel, B.; Mann, R.; Papadakis, P.; Rostron, D.; Rudolph, D.; Šáro, Š.; Sulignano, B.

    2011-02-01

    The decay chain of 246Fm has been investigated employing the SHIP separator at GSI Darmstadt. The 246Fm nuclei were produced via the 40Ar(208Pb, 2n)246Fm fusion-evaporation reaction. Improved values of the half-life, T 1/2 = 1.54(4) s, and of the spontaneous fission branching ratio, b SF = 0.068(6) , of 246Fm were obtained. The β+_{} /electron capture branching ratio, b EC = 0.39(3) , of 242Cf was deduced. Possible structures of high- K states in 246Fm are discussed within the framework of a model calculation based on the Woods-Saxon potential.

  17. Dicty_cDB: CHR246 [Dicty_cDB

    Lifescience Database Archive (English)

    Full Text Available CH (Link to library) CHR246 (Link to dictyBase) - - - Contig-U16475-1 CHR246P (Link to Original site) CHR...246F 145 CHR246Z 524 CHR246P 649 - - Show CHR246 Library CH (Link to library) Clone ID CHR... URL http://dictycdb.biol.tsukuba.ac.jp/CSM/CH/CHR2-B/CHR246Q.Seq.d/ Representative seq. ID CHR...246P (Link to Original site) Representative DNA sequence >CHR246 (CHR246Q) /CSM/CH/CHR2-B/CHR2...equences producing significant alignments: (bits) Value N AC116957 |AC116957.2 Dictyostelium discoideum chro

  18. 50 CFR 665.246 - Gear identification.

    Science.gov (United States)

    2010-10-01

    ... 50 Wildlife and Fisheries 9 2010-10-01 2010-10-01 false Gear identification. 665.246 Section 665.246 Wildlife and Fisheries FISHERY CONSERVATION AND MANAGEMENT, NATIONAL OCEANIC AND ATMOSPHERIC... Gear identification. In Permit Area 1, the vessel's official number must be marked legibly on all traps...

  19. Dicty_cDB: SHB246 [Dicty_cDB

    Lifescience Database Archive (English)

    Full Text Available library) SHB246 (Link to dictyBase) - - - Contig-U16580-1 - (Link to Original site) - - SHB246Z 665 -...- - - - Show SHB246 Library SH (Link to library) Clone ID SHB246 (Link to dictyBase) Atlas ID - NBRP ID...URL http://dictycdb.biol.tsukuba.ac.jp/CSM/SH/SHB2-B/SHB246Q.Seq.d/ Representative seq. ID - (Link to Original...site) Representative DNA sequence >SHB246 (SHB246Q) /CSM/SH/SHB2-B/SHB246Q.Seq.d/ XXXXXXXXXXAATAGTGNAGG...significant alignments: (bits) Value SHB246 (SHB246Q) /CSM/SH/SHB2-B/SHB246Q.Seq.d/ 1287 0.0 SHA440 (SHA440Q)

  20. 48 CFR 252.246-7002 - Warranty of construction (Germany).

    Science.gov (United States)

    2010-10-01

    ... (Germany). 252.246-7002 Section 252.246-7002 Federal Acquisition Regulations System DEFENSE ACQUISITION... of Provisions And Clauses 252.246-7002 Warranty of construction (Germany). As prescribed in 246.710(4), use the following clause: Warranty of Construction (Germany) (JUN 1997) (a) In addition to any other...

  1. 48 CFR 246.408-71 - Aircraft.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false Aircraft. 246.408-71... Aircraft. (a) The Federal Aviation Administration (FAA) has certain responsibilities and prerogatives in connection with some commercial aircraft and of aircraft equipment and accessories (Pub. L. 85-726 (72 Stat...

  2. 7 CFR 246.17 - Closeout procedures.

    Science.gov (United States)

    2010-01-01

    ... CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS AND CHILDREN State... cancel as many outstanding obligations as possible. FNS will allow full credit to the State agency for... affect the retention period for, or Federal rights of access to, grant records as specified in § 246.25...

  3. 7 CFR 246.4 - State plan.

    Science.gov (United States)

    2010-01-01

    ... voucher security. A description of the State agency's system for ensuring food instrument and cash-value voucher security in accordance with § 246.12(p); (xiii) Participant access determination criteria. A... (xiv) Mobile stores. The special needs necessitating the authorization of mobile stores, if the State...

  4. 40 CFR 246.100 - Scope.

    Science.gov (United States)

    2010-07-01

    ...: inability to sell the recovered materials due to lack of market, and costs so unreasonably high as to render source separation for materials recovery economically impracticable. (1) The following points are to be... MATERIALS RECOVERY GUIDELINES General Provisions § 246.100 Scope. (a) These guidelines are applicable to the...

  5. Application of TSH bioindicator for studying the biological efficiency of neutrons from californium-252 source

    Energy Technology Data Exchange (ETDEWEB)

    Cebulska-Wasilewska, A.; Rekas, K. [Institute of Nuclear Physics, Cracow (Poland); Kim, J.K. [Korea Atomic Energy Research Inst., Taejon (Korea, Republic of)

    1997-12-31

    The effectiveness of neutrons from a Californium-252 source in the induction of various abnormalities in the Tradescantia clone 4430 stamen hair cells (TSH-assay) was studied. The special attention was paid to check whether any enhancement in effects caused by process of boron neutron capture is visible in the cells enriched with boron ions. Two chemicals (borax and BSH) were applied to introduce boron-10 ions into cells. Inflorescence, normal or pretreated with chemicals containing boron, were irradiated in the air with neutrons from a Cf-252 source at KAERI, Taejon, Korea. To estimate the relative biological effectiveness (RBE) in the induction of gene mutations of the neutron beam under the study, Tradescantia inflorescences, without any chemical pretreatment, were irradiated with various doses of X-rays. The ranges of radiation doses used were 0-0.1 Gy in neutrons and 0-0.5 Gy in X-rays. After the time needed to complete the postirradiation repair Tradescantia cuttings were transferred to Cracow, where screening of gene and lethal; mutations, cell cycle alterations in somatic cells have been done, and dose response relationships were figured. The maximal RBE values were estimated in the range of 4.6-6.8. Alterations of RBE value were observed; from 6.8 to 7.8 in the case of plants pretreated with 240 ppm of B-10 from borax, and 4.6 to 6.1 in the case of 400 ppm of B-10 from BSH. Results showed a slight, although statistically insignificant increase in biological efficacy of radiation from the Cf-252 source in samples pretreated with boron containing chemicals. (author)

  6. 40 CFR 246.200 - High-grade paper recovery.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false High-grade paper recovery. 246.200 Section 246.200 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES SOURCE... paper recovery. ...

  7. Study of the shielding for spontaneous fission sources of Californium-252; Estudio de blindaje para fuentes de fision espontanea de Californio-252

    Energy Technology Data Exchange (ETDEWEB)

    Davila R, I

    1991-06-15

    A shielding study is made to attenuate, until maximum permissible levels, the neutrons radiation and photons emitted by spontaneous fission coming from a source of Californium-252. The compound package by a database (Library DLC-23) and the ANISNW code is used, in it version for personal computer. (Author)

  8. 7 CFR 246.13 - Financial management system.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 4 2010-01-01 2010-01-01 false Financial management system. 246.13 Section 246.13... State Agency Provisions § 246.13 Financial management system. (a) Disclosure of expenditures. The State agency shall maintain a financial management system which provides accurate, current and complete...

  9. 40 CFR 246.202-5 - Recommended procedures: Transportation.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended procedures: Transportation. 246.202-5 Section 246.202-5 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... § 246.202-5 Recommended procedures: Transportation. Transportation to market may be supplied by either...

  10. 48 CFR 52.246-14 - Inspection of Transportation.

    Science.gov (United States)

    2010-10-01

    ... Transportation. 52.246-14 Section 52.246-14 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION....246-14 Inspection of Transportation. As prescribed in 46.314, insert the following clause in solicitations and contracts for freight transportation services (including local drayage) by rail, motor...

  11. 40 CFR 246.200-7 - Recommended procedures: Transportation.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended procedures: Transportation. 246.200-7 Section 246.200-7 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED... § 246.200-7 Recommended procedures: Transportation. Transportation to market may be supplied by the...

  12. 48 CFR 246.704 - Authority for use of warranties.

    Science.gov (United States)

    2010-10-01

    ... warranties. 246.704 Section 246.704 Federal Acquisition Regulations System DEFENSE ACQUISITION REGULATIONS SYSTEM, DEPARTMENT OF DEFENSE CONTRACT MANAGEMENT QUALITY ASSURANCE Warranties 246.704 Authority for use of warranties. (1) The chief of the contracting office must approve use of a warranty, except in...

  13. 40 CFR Appendix to Part 246 - Recommended Bibliography

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended Bibliography Appendix to Part 246 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES SOURCE SEPARATION FOR MATERIALS RECOVERY GUIDELINES Pt. 246, App. Appendix to Part 246—Recommended Bibliography...

  14. 7 CFR 246.5 - Selection of local agencies.

    Science.gov (United States)

    2010-01-01

    ... a notice in the local media (unless it has received an application from a local public or nonprofit... 7 Agriculture 4 2010-01-01 2010-01-01 false Selection of local agencies. 246.5 Section 246.5... State and Local Agency Eligibility § 246.5 Selection of local agencies. (a) General. This section sets...

  15. Simulation and design of an electron beam ion source charge breeder for the californium rare isotope breeder upgrade

    Directory of Open Access Journals (Sweden)

    Clayton Dickerson

    2013-02-01

    Full Text Available An electron beam ion source (EBIS will be constructed and used to charge breed ions from the californium rare isotope breeder upgrade (CARIBU for postacceleration into the Argonne tandem linear accelerator system (ATLAS. Simulations of the EBIS charge breeder performance and the related ion transport systems are reported. Propagation of the electron beam through the EBIS was verified, and the anticipated incident power density within the electron collector was identified. The full normalized acceptance of the charge breeder with a 2 A electron beam, 0.024π  mm mrad for nominal operating parameters, was determined by simulating ion injection into the EBIS. The optics of the ion transport lines were carefully optimized to achieve well-matched ion injection, to minimize emittance growth of the injected and extracted ion beams, and to enable adequate testing of the charge bred ions prior to installation in ATLAS.

  16. Extraction of Trivalent Actinides and Lanthanides from Californium Campaign Rework Solution Using TODGA-based Solvent Extraction System

    Energy Technology Data Exchange (ETDEWEB)

    Benker, Dennis [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Delmau, Laetitia Helene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Dryman, Joshua Cory [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-07-01

    This report presents the studies carried out to demonstrate the possibility of quantitatively extracting trivalent actinides and lanthanides from highly acidic solutions using a neutral ligand-based solvent extraction system. These studies stemmed from the perceived advantage of such systems over cationexchange- based solvent extraction systems that require an extensive feed adjustment to make a low-acid feed. The targeted feed solutions are highly acidic aqueous phases obtained after the dissolution of curium targets during a californium (Cf) campaign. Results obtained with actual Cf campaign solutions, but highly diluted to be manageable in a glove box, are presented, followed by results of tests run in the hot cells with Cf campaign rework solutions. It was demonstrated that a solvent extraction system based on the tetraoctyl diglycolamide molecule is capable of quantitatively extracting trivalent actinides from highly acidic solutions. This system was validated using actual feeds from a Cf campaign.

  17. Beyond Californium-A Neutron Generator Alternative for Dosimetry and Instrument Calibration in the U.S.

    Science.gov (United States)

    Piper, Roman K; Mozhayev, Andrey V; Murphy, Mark K; Thompson, Alan K

    2017-09-01

    Evaluations of neutron survey instruments, area monitors, and personal dosimeters rely on reference neutron radiations, which have evolved from the heavy reliance on (α,n) sources to a shared reliance on (α,n) and the spontaneous fission neutrons of californium-252 (Cf). Capable of producing high dose equivalent rates from an almost point source geometry, the characteristics of Cf are generally more favorable when compared to the use of (α,n) and (γ,n) sources or reactor-produced reference neutron radiations. Californium-252 is typically used in two standardized configurations: unmoderated, to yield a fission energy spectrum; or with the capsule placed within a heavy-water moderating sphere to produce a softened spectrum that is generally considered more appropriate for evaluating devices used in nuclear power plant work environments. The U.S. Department of Energy Cf Loan/Lease Program, a longtime origin of affordable Cf sources for research, testing and calibration, was terminated in 2009. Since then, high-activity sources have become increasingly cost-prohibitive for laboratories that formerly benefited from that program. Neutron generators, based on the D-T and D-D fusion reactions, have become economically competitive with Cf and are recognized internationally as important calibration and test standards. Researchers from the National Institute of Standards and Technology and the Pacific Northwest National Laboratory are jointly considering the practicality and technical challenges of implementing neutron generators as calibration standards in the U.S. This article reviews the characteristics of isotope-based neutron sources, possible isotope alternatives to Cf, and the rationale behind the increasing favor of electronically generated neutron options. The evaluation of a D-T system at PNNL has revealed characteristics that must be considered in adapting generators to the task of calibration and testing where accurate determination of a dosimetric quantity is

  18. Californium-252 Brachytherapy Combined With External-Beam Radiotherapy for Cervical Cancer: Long-Term Treatment Results

    Energy Technology Data Exchange (ETDEWEB)

    Lei Xin; Qian Chengyuan; Qing Yi; Zhao Kewei; Yang Zhengzhou; Dai Nan; Zhong Zhaoyang; Tang Cheng; Li Zheng; Gu Xianqing; Zhou Qian; Feng Yan; Xiong Yanli; Shan Jinlu [Cancer Center, Research Institute of Surgery and Daping Hospital, Third Military Medical University, Chongqing (China); Wang Dong, E-mail: dongwang64@hotmail.com [Cancer Center, Research Institute of Surgery and Daping Hospital, Third Military Medical University, Chongqing (China)

    2011-12-01

    Purpose: To observe, by retrospective analysis, the curative effects and complications due to californium-252 ({sup 252}Cf) neutron intracavitary brachytherapy (ICBT) combined with external-beam radiotherapy (EBRT) in the treatment of cervical cancer. Methods and Materials: From February 1999 to December 2007, 696 patients with cervical cancer (Stages IB to IIIB) were treated with {sup 252}Cf-ICBT in combination of EBRT. Of all, 31 patients were at Stage IB, 104 at IIA, 363 at IIB, 64 at IIIA, and 134 at IIIB. Californium-252 ICBT was delivered at 7-12 Gy per insertion per week, with a total dose of 29-45 Gy to reference point A in three to five insertions. The whole pelvic cavity was treated with 8-MV X-ray external irradiation at 2 Gy per fraction, four times per week. After 16-38 Gy of external irradiation, the center of the whole pelvic field was blocked with a 4-cm-wide lead shield, with a total external irradiation dose of 44-56 Gy. The total treatment course was 5 to 6 weeks. Results: Overall survival rate at 3 and 5 years for all patients was 76.0% and 64.9%, respectively. Disease-free 3- and 5-year survival rates of patients were 71.2% and 58.4%, respectively. Late complications included vaginal contracture and adhesion, radiation proctitis, radiation cystitis, and inflammatory bowel, which accounted for 5.8%, 7.1%, 6.2%, and 4.9%, respectively. Univariate analysis results showed significant correlation of stage, age, histopathologic grade, and lymph node status with overall survival. Cox multiple regression analysis showed that the independent variables were stage, histopathologic grade, tumor size, and lymphatic metastasis in all patients. Conclusion: Results of this series suggest that the combined use of {sup 252}Cf-ICBT with EBRT is an effective method for treatment of cervical cancer.

  19. Mesityl(2,4,6-trimethoxyphenylborinic acid

    Directory of Open Access Journals (Sweden)

    Sergiusz Luliński

    2010-07-01

    Full Text Available In the title molecule, C18H23BO4, the dihedral angle between the least-squares planes of the aromatic rings is 84.88 (3°. The B atom deviates by 0.202 (1 Å from the least-squares plane of the mesityl ring. All of the methoxy groups are approximately coplanar with the 2,4,6-trimethoxyphenyl ring, whereas the BOH group is twisted with respect to it by 19.5°. The borinic OH group is engaged in an intramolecular O—H...O hydrogen bond with one of ortho-methoxy groups. The molecular structure is stabilized by weak C—H...O contacts. In the crystal, molecules are linked by weak C—H...O and C—H...π interactions, generating a three-dimensional network.

  20. Dissociative electron attachment to 2,4,6-trichloroanisole and 2,4,6-tribromoanisole molecules.

    Science.gov (United States)

    Asfandiarov, N L; Muftakhov, M V; Pshenichnyuk, S A; Papp, P; Danko, M; Lacko, M; Blaško, J; Matejčik, Š; Modelli, A

    2017-12-21

    2,4,6-trichloroanisole and 2,4,6-tribromoanisole were investigated by means of electron transmission spectroscopy and two different types of dissociative electron attachment spectrometers. The results obtained were interpreted with the support of density functional theory calculations. The dominant dissociative decay channels of the temporary molecular negative ions lead to the formation of Cl- and Br- in the low electron energy region. Formation of long-lived parent anions is observed at thermal electron energies. Their relative intensity depends on the experimental time window, ∼36 μs in the case of the static magnet mass analyzer and ∼200 μs for the quadrupole mass analyzer employed. The results obtained may be useful for rapid detection of these compounds in wine and pharmaceutical industries, as well as other branches connected to the food industry, e.g., packaging.

  1. 32 CFR Appendix D to Part 246 - Editorial Operations

    Science.gov (United States)

    2010-07-01

    ... standard code of personal and professional ethics and general editorial principles similar to those...) MISCELLANEOUS STARS AND STRIPES (S&S) NEWSPAPER AND BUSINESS OPERATIONS Pt. 246, App. D Appendix D to Part 246... Society of Professional Journalists. Those codes usually stress the following: a. Responsibility of the...

  2. 7 CFR 246.24 - Procurement and property management.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 4 2010-01-01 2010-01-01 false Procurement and property management. 246.24 Section... AND CHILDREN Miscellaneous Provisions § 246.24 Procurement and property management. (a) Requirements... to the standards set forth in A-130 and 7 CFR part 3016. (d) Property acquired with Program funds...

  3. 48 CFR 852.246-72 - Frozen processed foods.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Frozen processed foods. 852.246-72 Section 852.246-72 Federal Acquisition Regulations System DEPARTMENT OF VETERANS AFFAIRS... Frozen processed foods. As prescribed in 846.302-72, insert the following clause: Frozen Processed Foods...

  4. Decay study of {sup 246}Fm at SHIP

    Energy Technology Data Exchange (ETDEWEB)

    Venhart, M. [Comenius University, Department of Nuclear Physics and Biophysics, Bratislava (Slovakia); Slovak Academy of Sciences, Institute of Physics, Bratislava (Slovakia); Hessberger, F.P.; Ackermann, D.; Heinz, S.; Kindler, B.; Kojouharov, I.; Lommel, B.; Mann, R. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Antalic, S.; Saro, S. [Comenius University, Department of Nuclear Physics and Biophysics, Bratislava (Slovakia); Gray-Jones, C.; Herzberg, R.D.; Papadakis, P. [University of Liverpool, Department of Physics, Liverpool (United Kingdom); Greenlees, P.T.; Ketelhut, S.; Leino, M. [University of Jyvaeskylae, Department of Physics, Jyvaeskylae (Finland); Hofmann, S. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Goethe-Universitaet, Institut fuer Kernphysik, Frankfurt am Main (Germany); Rostron, D. [Goethe-Universitaet, Institut fuer Kernphysik, Frankfurt am Main (Germany); Rudolph, D. [Lund University, Department of Physics, Lund (Sweden); Sulignano, B. [CEA Saclay, DAPNIA/SPhN, Gif/Yvette Cedex (France)

    2011-02-15

    The decay chain of {sup 246}Fm has been investigated employing the SHIP separator at GSI Darmstadt. The {sup 246}Fm nuclei were produced via the {sup 40}Ar({sup 208}Pb, 2n){sup 246}Fm fusion-evaporation reaction. Improved values of the half-life, T{sub 1/2} = 1.54(4) s, and of the spontaneous fission branching ratio, b{sub SF} = 0.068(6), of {sup 246}Fm were obtained. The {beta}{sup +} /electron capture branching ratio, b{sub EC} = 0.39(3), of {sup 242}Cf was deduced. Possible structures of high-K states in {sup 246}Fm are discussed within the framework of a model calculation based on the Woods-Saxon potential. (orig.)

  5. Long-term effects of an intracavitary treatment with californium-252 on normal tissue. [Swine, /sup 226/Ra

    Energy Technology Data Exchange (ETDEWEB)

    Sullivan, M.F.; Beamer, J.L.; Mahony, T.D.; Cross, F.T.; Lund, J.E.; Endres, G.W.R.

    1976-01-01

    About one hundred fifty swine were exposed to either radium-226 or californium-252 sources in the uterine cervix to determine an RBE for both acute and long-term effects. That value for early changes in the tissues at risk in the treatment of cervical cancer was between 6.2 and 6.8. The incidence of complications increased with time after exposure, especially among animals treated with /sup 252/Cf. Analysis of rectal injury showed that ulceration occurred frequently within a year postexposure at doses between 1600 and 2400 rad calculated at 2 cm lateral to the source midline. Fat necrosis and smooth muscle atrophy, resulting in a local rectal stricture, were delayed changes observed in some animals. The lower ureter was the site for a greater frequency of complications than the GI tract. Ureteral stricture often occurred at doses of 1200 rad from /sup 252/Cf and 7000 rad from /sup 226/Ra. Observation of delayed effects in the uterine-cervix in animals held up to 4 years postexposure indicate that the RBE for /sup 252/Cf may be increased to a value as high as 18, while repair may have even decreased it to about 5.6 in the rectum. Fifty swine are still being observed for long-term effects after doses above 800 rad from /sup 252/Cf and 5000 rad from /sup 226/Ra.

  6. Ab initio full-potential study of mechanical properties and magnetic phase stability of californium monopnictides (CfN and CfP)

    Energy Technology Data Exchange (ETDEWEB)

    Amari, S., E-mail: siham_amari@yahoo.fr [Faculté des Sciences de la Nature et de la Vie, Université Hassiba Benbouali, Chlef, 02000 (Algeria); Bouhafs, B. [Laboratoire de Modélisation et Simulation en Sciences des Matériaux, Université Djillali Liabès de Sidi Bel-Abbés, Sidi Bel-Abbés, 22000 (Algeria)

    2016-09-15

    Based on the first-principles methods, the structural, elastic, electronic, properties and magnetic ordering of californium monopnictides CfX (X = P) have been studied using the full-potential augmented plane wave plus local orbitals (FP-L/APW + lo) method within the framework of density functional theory (DFT). The electronic exchange correlation energy is described by generalized gradient approximation GGA and GGA+U (U is the Hubbard correction). The GGA+U method is applied to the rare-earth 5f states. We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii. The elastic properties of the studied compounds are only investigated in the most stable calculated phase. In order to gain further information, we have calculated Young’s modulus, shear modulus, anisotropy factor and Kleinman parameter by the aid of the calculated elastic constants. The results mainly show that californium monopnictides CfX (X = P) have an antiferromagnetic spin ordering. Density of states (DOS) and charge densities for both compounds are also computed in the NaCl (B1) structure.

  7. Low-Dose-Rate Californium-252 Neutron Intracavitary Afterloading Radiotherapy Combined With Conformal Radiotherapy for Treatment of Cervical Cancer

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Min [Department of Oncology, Armed Police Hospital of Hangzhou, Hangzhou, Zhejiang Province (China); Xu Hongde [Cancer Center, Armed Police Hospital of Hangzhou, Hangzhou, Zhejiang Province (China); Pan Songdan; Lin Shan; Yue Jianhua [Department of Oncology, Armed Police Hospital of Hangzhou, Hangzhou, Zhejiang Province (China); Liu Jianren, E-mail: liujianren0571@hotmail.com [Second Affiliated Hospital, School of Medicine, Zhejiang University, Hangzhou, Zhejiang Province (China)

    2012-07-01

    Purpose: To study the efficacy of low-dose-rate californium-252 ({sup 252}Cf) neutron intracavitary afterloading radiotherapy (RT) combined with external pelvic RT for treatment of cervical cancer. Methods and Materials: The records of 96 patients treated for cervical cancer from 2006 to 2010 were retrospectively reviewed. For patients with tumors {<=}4 cm in diameter, external beam radiation was performed (1.8 Gy/day, five times/week) until the dose reached 20 Gy, and then {sup 252}Cf neutron intracavitary afterloading RT (once/week) was begun, and the frequency of external beam radiation was changed to four times/week. For patients with tumors >4 cm, {sup 252}Cf RT was performed one to two times before whole-pelvis external beam radiation. The tumor-eliminating dose was determined by using the depth limit of 5 mm below the mucosa as the reference point. In all patients, the total dose of the external beam radiation ranged from 46.8 to 50 Gy. For {sup 252}Cf RT, the dose delivered to point A was 6 Gy/fraction, once per week, for a total of seven times, and the total dose was 42 Gy. Results: The mean {+-} SD patient age was 54.7 {+-} 13.7 years. Six patients had disease assessed at stage IB, 13 patients had stage IIA, 49 patients had stage IIB, 3 patients had stage IIIA, 24 patients had stage IIIB, and 1 patient had stage IVA. All patients obtained complete tumor regression (CR). The mean {+-} SD time to CR was 23.5 {+-} 3.4 days. Vaginal bleeding was fully controlled in 80 patients within 1 to 8 days. The mean {+-} SD follow-up period was 27.6 {+-} 12.7 months (range, 6-48 months). Five patients died due to recurrence or metastasis. The 3-year survival and disease-free recurrence rates were 89.6% and 87.5 %, respectively. Nine patients experienced mild radiation proctitis, and 4 patients developed radiocystitis. Conclusions: Low-dose-rate {sup 252}Cf neutron RT combined with external pelvic RT is effective for treating cervical cancer, with a low incidence of

  8. 48 CFR 246.706 - Warranty terms and conditions.

    Science.gov (United States)

    2010-10-01

    ... SYSTEM, DEPARTMENT OF DEFENSE CONTRACT MANAGEMENT QUALITY ASSURANCE Warranties 246.706 Warranty terms and... 48 Federal Acquisition Regulations System 3 2010-10-01 2010-10-01 false Warranty terms and..., and MIL-STD-130, Identification Marking of U.S. Military Property, when marking warranty items. ...

  9. 40 CFR 86.246-94 - Intermediate temperature testing.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Intermediate temperature testing. 86... Regulations for 1994 and Later Model Year Gasoline-Fueled New Light-Duty Vehicles, New Light-Duty Trucks and New Medium-Duty Passenger Vehicles; Cold Temperature Test Procedures § 86.246-94 Intermediate...

  10. 7 CFR 246.22 - Administrative appeal of FNS decisions.

    Science.gov (United States)

    2010-01-01

    ... 246.22 Agriculture Regulations of the Department of Agriculture (Continued) FOOD AND NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS... Agriculture, Food and Nutrition Service, 3101 Park Center Drive, Alexandria, Va. 22302, for a hearing or a...

  11. 48 CFR 1852.246-73 - Human space flight item.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Human space flight item... 1852.246-73 Human space flight item. As prescribed in 1845.370(b), insert the following clause: Human Space Flight Item (MAR 1997) The Contractor shall include the following statement in all subcontracts...

  12. Phenotype abnormality: 246 [Arabidopsis Phenome Database[Archive

    Lifescience Database Archive (English)

    Full Text Available 246 http://metadb.riken.jp/db/SciNetS_ria224i/cria224u1ria224u752i delayed in orga...n named root hair cell during process named organ development ... root hair cell ... delayed ... organ development ...

  13. Development of ST-246® for Treatment of Poxvirus Infections

    Directory of Open Access Journals (Sweden)

    Dennis E. Hruby

    2010-11-01

    Full Text Available ST-246 (Tecovirimat is a small synthetic antiviral compound being developed to treat pathogenic orthopoxvirus infections of humans. The compound was discovered as part of a high throughput screen designed to identify inhibitors of vaccinia virus-induced cytopathic effects. The antiviral activity is specific for orthopoxviruses and the compound does not inhibit the replication of other RNA- and DNA-containing viruses or inhibit cell proliferation at concentrations of compound that are antiviral. ST-246 targets vaccinia virus p37, a viral protein required for envelopment and secretion of extracellular forms of virus. The compound is orally bioavailable and protects multiple animal species from lethal orthopoxvirus challenge. Preclinical safety pharmacology studies in mice and non-human primates indicate that ST-246 is readily absorbed by the oral route and well tolerated with the no observable adverse effect level (NOAEL in mice measured at 2000 mg/kg and the no observable effect level (NOEL in non-human primates measured at 300 mg/kg. Drug substance and drug product processes have been developed and commercial scale batches have been produced using Good Manufacturing Processes (GMP. Human phase I clinical trials have shown that ST-246 is safe and well tolerated in healthy human volunteers. Based on the results of the clinical evaluation, once a day dosing should provide plasma drug exposure in the range predicted to be antiviral based on data from efficacy studies in animal models of orthopoxvirus disease. These data support the use of ST-246 as a therapeutic to treat pathogenic orthopoxvirus infections of humans.

  14. 10 CFR 72.246 - Issuance of amendment to a certificate of compliance.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 2 2010-01-01 2010-01-01 false Issuance of amendment to a certificate of compliance. 72.246 Section 72.246 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) LICENSING REQUIREMENTS FOR THE... CLASS C WASTE Approval of Spent Fuel Storage Casks § 72.246 Issuance of amendment to a certificate of...

  15. 48 CFR 552.246-77 - Additional Contract Warranty Provisions for Supplies of a Noncomplex Nature.

    Science.gov (United States)

    2010-10-01

    ... Warranty Provisions for Supplies of a Noncomplex Nature. 552.246-77 Section 552.246-77 Federal Acquisition... a Noncomplex Nature. As prescribed in 546.710(a), insert the following clause in solicitations and contracts that include FAR 52.246-17, Warranty of Supplies of a Noncomplex Nature. Additional Contract...

  16. 48 CFR 52.246-18 - Warranty of Supplies of a Complex Nature.

    Science.gov (United States)

    2010-10-01

    ... Complex Nature. 52.246-18 Section 52.246-18 Federal Acquisition Regulations System FEDERAL ACQUISITION... Clauses 52.246-18 Warranty of Supplies of a Complex Nature. As prescribed in 46.710(b)(1), insert a clause substantially as follows: Warranty of Supplies of a Complex Nature (MAY 2001) (a) Definitions. As used in this...

  17. 48 CFR 52.246-17 - Warranty of Supplies of a Noncomplex Nature.

    Science.gov (United States)

    2010-10-01

    ... Noncomplex Nature. 52.246-17 Section 52.246-17 Federal Acquisition Regulations System FEDERAL ACQUISITION... Clauses 52.246-17 Warranty of Supplies of a Noncomplex Nature. As prescribed in 46.710(a)(1), insert a clause substantially as follows: Warranty of Supplies of a Noncomplex Nature (JUN 2003) (a) Definitions...

  18. 40 CFR 246.201-6 - Recommended procedures: Transportation to market.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended procedures: Transportation to market. 246.201-6 Section 246.201-6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Procedures § 246.201-6 Recommended procedures: Transportation to market. Transportation to market may be...

  19. 30 CFR 250.246 - What mineral resource conservation information must accompany the DPP or DOCD?

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 2 2010-07-01 2010-07-01 false What mineral resource conservation information must accompany the DPP or DOCD? 250.246 Section 250.246 Mineral Resources MINERALS MANAGEMENT SERVICE... Coordination Documents (docd) § 250.246 What mineral resource conservation information must accompany the DPP...

  20. In vitro efficacy of ST246 against smallpox and monkeypox.

    Science.gov (United States)

    Smith, Scott K; Olson, Victoria A; Karem, Kevin L; Jordan, Robert; Hruby, Dennis E; Damon, Inger K

    2009-03-01

    Since the eradication of smallpox and the cessation of routine childhood vaccination for smallpox, the proportion of the world's population susceptible to infection with orthopoxviruses, such as variola virus (the causative agent of smallpox) and monkeypox virus, has grown substantially. In the United States, the only vaccines for smallpox licensed by the Food and Drug Administration (FDA) have been live virus vaccines. Unfortunately, a substantial number of people cannot receive live virus vaccines due to contraindications. Furthermore, no antiviral drugs have been fully approved by the FDA for the prevention or treatment of orthopoxvirus infection. Here, we show the inhibitory effect of one new antiviral compound, ST-246, on the in vitro growth properties of six variola virus strains and seven monkeypox virus strains. We performed multiple assays to monitor the cytopathic effect and to evaluate the reduction of viral progeny production and release in the presence of the compound. ST-246 had 50% effective concentrations of 246 inhibits variola and monkeypox viruses similarly by reducing the production and release of enveloped orthopoxvirus and support the development of ST-246 as an antiviral therapeutic compound for the treatment of severe systemic orthopoxvirus infections.

  1. Utilities in the 2-4-6 task.

    Science.gov (United States)

    Vallée-Tourangeau, Frédéric

    2012-01-01

    The Wason 2-4-6 task was embedded in a practical reasoning scenario where number sequences had well-defined utilities in the process of achieving a goal. Reasoners' hypothesis-testing behavior was clearly goal-driven and was significantly influenced by whether the utilities favored positive or negative sequences. In the version of the scenario where generating positive sequences had greater benefits than generating negative ones, participants performed poorly at the task as measured by their ability to guess the correct rule and by the nature and number of triples tested before making an announcement. In contrast, the scenario that assigned a greater utility to the production of negative sequences fostered significantly more diligent and creative hypothesis-testing behavior, and participants were significantly more likely to discover the rule. These results suggest that the poor performance observed in Wason's traditional 2-4-6 task reflects a hypothesis-testing process that by default assigns greater utility to the production of sequences that conform to the initial triple, and hence receive positive feedback. However, reasoners are not averse to producing negative sequences, and understand their implication, if their utility is made relevant in the process of achieving goals.

  2. 42 CFR 137.246 - How does a Self-Governance Tribe retrocede a PSFA?

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 1 2010-10-01 2010-10-01 false How does a Self-Governance Tribe retrocede a PSFA? 137.246 Section 137.246 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF HEALTH AND HUMAN SERVICES INDIAN HEALTH SERVICE, DEPARTMENT OF HEALTH AND HUMAN SERVICES TRIBAL SELF-GOVERNANCE Retrocession § 137...

  3. 32 CFR Appendix E to Part 246 - Stars and Stripes (S&S) Board of Directors

    Science.gov (United States)

    2010-07-01

    ... 32 National Defense 2 2010-07-01 2010-07-01 false Stars and Stripes (S&S) Board of Directors E... DEFENSE (CONTINUED) MISCELLANEOUS STARS AND STRIPES (S&S) NEWSPAPER AND BUSINESS OPERATIONS Pt. 246, App. E Appendix E to Part 246—Stars and Stripes (S&S) Board of Directors A. Organization and Management...

  4. Californium-252 neutron intracavity brachytherapy alone for T1N0 low-lying rectal adenocarcinoma: A definitive anal sphincter-preserving radiotherapy

    Science.gov (United States)

    Xiong, Yanli; Shan, Jinlu; Liu, Jia; Zhao, Kewei; Chen, Shu; Xu, Wenjing; Zhou, Qian; Yang, Mei; Lei, Xin

    2017-01-01

    This study evaluated the 4-year results of 32 patients with T1N0 low-lying rectal adenocarcinoma treated solely with californium-252 (Cf-252) neutron intracavity brachytherapy (ICBT). Patients were solicited into the study from January 2008 to June 2011. All the patients had refused surgery or surgery was contraindicated. The patients were treated with Cf-252 neutron ICBT using a novel 3.5-cm diameter off-axis 4-channel intrarectal applicator designed by the authors. The dose reference point was defined on the mucosa surface, with a total dose of 55–62 Gy-eq/4 f (13–16 Gy-eq/f/wk). All the patients completed the radiotherapy in accordance with our protocol. The rectal lesions regressed completely, and the acute rectal toxicity was mild (≤G2). The 4-year local control, overall survival, disease-free survival, and late complication (≥G2) rates were 96.9%, 90.6%, 87.5% and 15.6%, respectively. No severe late complication (≥G3) occurred. The mean follow-up was 56.1 ± 16.0 months. At the end of last follow-up, 29 patients remained alive. The mean survival time was 82.1 ± 2.7 months. Cf-252 neutron ICBT administered as the sole treatment (without surgery) for patients with T1N0 low-lying rectal adenocarcinoma is effective with acceptable late complications. Our study and method offers a definitive anal sphincter-preserving radiotherapy for T1N0 low-lying rectal adenocarcinoma patients. PMID:28094790

  5. 33 CFR 148.246 - When is a document considered filed and where should I file it?

    Science.gov (United States)

    2010-07-01

    ... filed and where should I file it? 148.246 Section 148.246 Navigation and Navigable Waters COAST GUARD... Formal Hearings § 148.246 When is a document considered filed and where should I file it? (a) If a document to be filed is submitted by mail, it is considered filed on the date it is postmarked. If a...

  6. Role of UV photolysis in accelerating the biodegradation of 2,4,6-TCP.

    Science.gov (United States)

    Wang, Wenbing; Kirumba, George; Zhang, Yongming; Wu, Yanqing; Rittmann, Bruce E

    2015-09-18

    2,4,6-TCP, a kind of chlorinated aromatic and aliphatic compound, is difficult to be biodegraded by ordinary microorganisms. UV photolysis and biodegradation of 2,4,6-TCP by Bacillus amyloliquefaciens intimate coupling is a potential means to accelerate its biotransformation. The initial steps of 2,4,6-TCP biodegradation involve mono-oxygenation reactions that have molecular oxygen and an intracellular electron carrier as cosubstrates. It was demonstrated that B. amyloliquefaciens has the 2,4,6-TCP monooxygenase gene tcpA which could encode 2,4,6-TCP monooxygenase (TCP-MO). TCP-MO would catalytically decompose 2,4,6-TCP into 2,6-DCHQ. We employed an internal loop photolytic biofilm reactor for 2,4,6-TCP degradation. Sequentially coupled photolysis and biodegradation experimental results suggested that 2,4,6-TCP removal rate in P + B (TCP(UV) + phenol) protocol was higher by 77 and 103 % when compared to B (TCP + phenol) and B (TCP-only) protocols respectively. The corresponding loss rate coefficient (k) values were 0.069, 0.039, 0.034 mg/L·min-1 respectively. This is because UV photolysis converted 2,4,6-TCP into its intermediates: 2,4-dichlorophenol (2,4-DCP), 4-monochlorophenol (4-MCP), phenol, 2,6-dichloro-p-hydroquinone (2,6-DCHQ), with all displaying less inhibition to bacterial action. In addition, phenol was the crucial UV-photolysis product from 2,4,6-TCP, its catabolic oxidation generating internal electron carriers that may accelerate the initial steps of 2,4,6-TCP biodegradation. Intimately coupled photolysis and biodegradation experimental results suggested that 2,4,6-TCP removal rate in P&B (TCP + phenol) protocol was higher by 166 and 681 % when compared to P&B (TCP-only) and P + B protocols respectively. The corresponding loss rate coefficient (k) values were 0.539, 0.203, 0.069 mg/L·min-1 respectively. It provided sufficient evidence to demonstrate that intimately coupled photolysis and biodegradation accelerated 2,4,6-TCP removal

  7. Degradation of 2,4,6-Trichlorophenol and hydrogen production simultaneously by TiO2 nanotubes/graphene composite

    Science.gov (United States)

    Slamet, Raudina

    2017-11-01

    Industrial waters in coal pyrolysis process, synthetic chemicals and oil and gas process contain phenol derivatives that are dangerous to the environment and needs to be removed, one of them is 2,4,6-Trichlorophenol. Degradation of 2,4,6-Trichlorophenol and hydrogen production simultaneously have been investigated using TiNT/Graphene composite at various graphene loading and initial concentration of 2,4,6-Trichlorophenol. Optimal graphene loading of 0.6 wt% was obtained in the simultaneous system with 89% elimination of 2,4,6-Trichlorophenol and 986 µmol of hydrogen production. Test results showed that addition of 2,4,6-Trichlorophenol would subsequently increased 2,4,6-Trichlorophenol conversion and enhanced hydrogen production linearly. 2.7 times greater hydrogen production was found in addition of 50 ppm 2,4,6-Trichlorophenol.

  8. The potential of ion mobility spectrometry (IMS) for detection of 2,4,6-trichloroanisole (2,4,6-TCA) in wine.

    Science.gov (United States)

    Karpas, Zeev; Guamán, Ana V; Calvo, Daniel; Pardo, Antonio; Marco, Santiago

    2012-05-15

    The off-flavor of "tainted wine" is attributed mainly to the presence of 2,4,6-trichloroanisole (2,4,6-TCA) in the wine. In the present study the atmospheric pressure gas-phase ion chemistry, pertaining to ion mobility spectrometry, of 2,4,6-trichloroanisole was investigated. In positive ion mode the dominant species is a monomer ion with a lower intensity dimer species with reduced mobility values (K(0)) of 1.58 and 1.20 cm(2)V(-1) s(-1), respectively. In negative mode the ion with K(0) =1.64 cm(2)V(-1)s(-1) is ascribed to a trichlorophenoxide species while the ions with K(0) =1.48 and 1.13 cm(2)V(-1)s(-1) are attributed to chloride attachment adducts of a TCA monomer and dimer, respectively. The limit of detection of the system for 2,4,6-TCA dissolved in dichloromethane deposited on a filter paper was 2.1 μg and 1.7 ppm in the gas phase. In ethanol and in wine the limit of detection is higher implying that pre-concentration and pre-separation are required before IMS can be used to monitor the level of TCA in wine. Copyright © 2012 Elsevier B.V. All rights reserved.

  9. Increased susceptibility of Cantagalo virus to the antiviral effect of ST-246®.

    Science.gov (United States)

    Santos-Fernandes, Élida; Beltrame, Cristiana O; Byrd, Chelsea M; Cardwell, Kara B; Schnellrath, Laila C; Medaglia, Maria Luiza G; Hruby, Dennis E; Jordan, Robert; Damaso, Clarissa R

    2013-03-01

    Cantagalo virus (CTGV) is the etiologic agent of a pustular disease in dairy cows and dairy workers in Brazil with important economical and occupational impacts. Nevertheless, no antiviral therapy is currently available. ST-246 is a potent inhibitor of orthopoxvirus egress from cells and has proved its efficacy in cell culture and in animal models. In this work, we evaluated the effect of ST-246 on CTGV replication. Plaque reduction assays indicated that CTGV is 6-38 times more susceptible to the drug than VACV-WR and cowpox virus, respectively, with an EC50 of 0.0086μM and a selective index of >11,600. The analysis of β-gal activity expressed by recombinant viruses in the presence of ST-246 confirmed these results. In addition, ST-246 had a greater effect on the reduction of CTGV spread in comet tail assays and on the production of extracellular virus relative to VACV-WR. Infection of mice with CTGV by tail scarification generated primary lesions at the site of scarification that appeared less severe than those induced by VACV-WR. Animals infected with CTGV and treated with ST-246 at 100mg/kg for 5days did not develop primary lesions and virus yields were inhibited by nearly 98%. In contrast, primary lesions induced by VACV-WR were not affected by ST-246. The analysis of F13 (p37) protein from CTGV revealed a unique substitution in residue 217 (D217N) not found in other orthopoxviruses. Construction of recombinant VACV-WR containing the D217N polymorphism did not lead to an increase in the susceptibility to ST-246. Therefore, it is still unknown why CTGV is more susceptible to the antiviral effects of ST-246 compared to VACV-WR. Nonetheless, our data demonstrates that ST-246 is a potent inhibitor of CTGV replication that should be further evaluated as a promising anti-CTGV therapy. Copyright © 2012 Elsevier B.V. All rights reserved.

  10. Determination of the 243,246,248Cm thermal neutron induced fission cross sections

    Science.gov (United States)

    Serot, O.; Wagemans, C.; Vermote, S.; Heyse, J.; Soldner, T.; Geltenbort, P.

    2005-11-01

    The minor actinide waste produced in nuclear power plants contains various Cm-isotopes, and transmutation scenarios require improved fission cross section data. The available thermal neutron induced fission cross section data for 243Cm, 246Cm and 248Cm are not very accurate, so new cross section measurements have been performed at the high flux reactor of the ILL in Grenoble (France) under better experimental conditions (highly enriched samples, very intense and clean neutron beam). The measurements were performed at a neutron energy of 5.38 meV, yielding fission cross section values of (1240±28)b for 243Cm, (25±47)mb for 246Cm and (685±84)mb for 248Cm. From these results, thermal fission cross section values of (572±14)b; (12±25)mb and (316±43)mb have been deduced for 243Cm, 246Cm and 248Cm, respectively.

  11. Functions of Flavin Reductase and Quinone Reductase in 2,4,6-Trichlorophenol Degradation by Cupriavidus necator JMP134▿

    OpenAIRE

    Belchik, Sara Mae; Xun, Luying

    2007-01-01

    The tcpRXABCYD operon of Cupriavidus necator JMP134 is involved in the degradation of 2,4,6-trichlorophenol (2,4,6-TCP), a toxic pollutant. TcpA is a reduced flavin adenine dinucleotide (FADH2)-dependent monooxygenase that converts 2,4,6-TCP to 6-chlorohydroxyquinone. It has been implied via genetic analysis that TcpX acts as an FAD reductase to supply TcpA with FADH2, whereas the function of TcpB in 2,4,6-TCP degradation is still unclear. In order to provide direct biochemical evidence for t...

  12. APR-246/PRIMA-1Met Inhibits and Reverses Squamous Metaplasia in Human Conjunctival Epithelium.

    Science.gov (United States)

    Li, Jing; Li, Cheng; Wang, Guoliang; Liu, Zhen; Chen, Pei; Yang, Qichen; Dong, Nuo; Wu, Huping; Liu, Zuguo; Li, Wei

    2016-02-01

    Squamous metaplasia is a common pathologic condition in ocular surface diseases for which there is no therapeutic medication in clinic. In this study, we investigated the effect of a small molecule, APR-246/PRIMA-1(Met), on squamous metaplasia in human conjunctival epithelium. Human conjunctival explants were cultured for up to 12 days under airlifting conditions. Epithelial cell differentiation and proliferation were assessed by Cytokeratin 10 (K10), K14, K19, Pax6, MUC5AC, and p63 immunostaining patterns. β-catenin and TCF-4 immunofluorescent staining and real-time PCR characterized Wnt signaling pathway involvement. Pterygium clinical samples were cultured under airlifting conditions with or without APR-246 for 4 days. p63, K10, β-catenin, and TCF-4 expression in pterygial epithelium was determined by immunofluorescent staining and real-time PCR. Airlift conjunctival explants resulted in increased stratification and intrastromal epithelial invagination. Such pathology was accompanied by increases in K10, K14, and p63 expression, whereas K19 and Pax6 levels declined when compared to those in freshly isolated tissue. On the other hand, APR-246 reversed all of these declines in K10, K14, and p63 expression. Furthermore, K19 and Pax6 increased along with rises in goblet cell density. These effects of APR-246 were accompanied by near restoration of normal conjunctival epithelial histology. APR-246 also reversed squamous metaplasia in pterygial epithelium that had developed after 4 days in ex vivo culture. Reductions in squamous metaplasia induced by APR-246 suggest it may provide a novel therapeutic approach in different squamous metaplasia-associated ocular surface diseases.

  13. Californium-252 Program Equipment Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Chattin, Fred Rhea [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wilson, Kenton [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ezold, Julie G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-12-01

    To successfully continue the 252Cf production and meet the needs of the customers, a comprehensive evaluation of the Building 7920 processing equipment was requested to identify equipment critical to the operational continuity of the program.

  14. 1,3,5-Triazine-2,4,6-triyltrisulfamic acid (TTSA): A new organic solid ...

    Indian Academy of Sciences (India)

    Administrator

    1,3,5-Triazine-2,4,6-triyltrisulfamic acid (TTSA): A new organic solid acid for the nitrosation of secondary amines ... dDepartment of Chemistry, Faculty of Sciences, Ilam University, Ilam 69315516, Iran e-mail: chehardoli@umsha.ac.ir; ... in handling, decreased reactor and plant corrosion problems, and more environmentally ...

  15. 7 CFR 58.246 - Cleaning of dryers, collectors, conveyors, ducts, sifters and storage bins.

    Science.gov (United States)

    2010-01-01

    ... (Continued) AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing Practices), DEPARTMENT OF AGRICULTURE (CONTINUED) REGULATIONS AND STANDARDS UNDER THE AGRICULTURAL MARKETING ACT OF 1946 AND THE EGG... Inspection and Grading Service 1 Operations and Operating Procedures § 58.246 Cleaning of dryers, collectors...

  16. 8 CFR 246.4 - Immigration judge's authority; withdrawal and substitution.

    Science.gov (United States)

    2010-01-01

    ... 8 Aliens and Nationality 1 2010-01-01 2010-01-01 false Immigration judge's authority; withdrawal... IMMIGRATION REGULATIONS RESCISSION OF ADJUSTMENT OF STATUS § 246.4 Immigration judge's authority; withdrawal and substitution. In any proceeding conducted under this part, the immigration judge shall have...

  17. Complete dissipation of 2,4,6-trinitrotoluene by in-vessel composting

    NARCIS (Netherlands)

    Gümüscü, B.; Cekmecelioglu, Deniz; Tekinay, Turgay

    2015-01-01

    We demonstrate complete removal of 2,4,6-trinitrotoluene (TNT) in 15 days using an in-vessel composting system, which is amended with TNT-degrading bacteria strains. A mixture of TNT, food waste, manure, wood chips, soil and TNT-degrading bacteria consortium are co-composted for 15 days in an

  18. 40 CFR 246.200-5 - Recommended procedures: Methods of separation and collection.

    Science.gov (United States)

    2010-07-01

    ... Recommended Procedures § 246.200-5 Recommended procedures: Methods of separation and collection. (a) Systems... recommended system is the desk-top system because it is designed to maximize recovery of high value material.... The recommended desk-top system is carried out in the following manner: (1) Workers are to deposit...

  19. 48 CFR 1852.246-70 - Mission Critical Space System Personnel Reliability Program.

    Science.gov (United States)

    2010-10-01

    ... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Mission Critical Space... CONTRACT CLAUSES Texts of Provisions and Clauses 1852.246-70 Mission Critical Space System Personnel Reliability Program. As prescribed in 1846.370(a), insert the following clause: Mission Critical Space System...

  20. 48 CFR 52.246-3 - Inspection of Supplies-Cost-Reimbursement.

    Science.gov (United States)

    2010-10-01

    ... Provisions and Clauses 52.246-3 Inspection of Supplies—Cost-Reimbursement. As prescribed in 46.303, insert... furnishing of supplies, when a cost-reimbursement contract is contemplated: Inspection of Supplies—Cost... replace, without cost to the Government, nonconforming supplies, if the nonconformances are due to (1...

  1. 28 CFR 2.46 - Execution of warrant and service of summons.

    Science.gov (United States)

    2010-07-01

    ... § 2.46 Execution of warrant and service of summons. (a) Any officer of any Federal correctional institution or any Federal officer authorized to serve criminal process within the United States, to whom a... the Attorney General. (b) On arrest of the parolee the officer executing the warrant shall deliver to...

  2. SAGE ANALYSIS OF TRANSCRIPTOME RESPONSES IN ARABIDOPSIS ROOTS EXPOSED TO 2,4,6-TRINITROTOLUENE

    Science.gov (United States)

    Serial Analysis of Gene Expression (SAGE) was used to profile transcript levels in Arabidopsis thaliana roots and assess their responses to 2,4,6-trinitrotoluene (TNT) exposure. SAGE libraries representing control and TNT-exposed seedling root transcripts were constructed, and ea...

  3. 5 CFR 531.246 - Within-grade increases for GM employees.

    Science.gov (United States)

    2010-01-01

    ... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Within-grade increases for GM employees... REGULATIONS PAY UNDER THE GENERAL SCHEDULE Determining Rate of Basic Pay Special Rules for Gm Employees § 531.246 Within-grade increases for GM employees. GM employees are entitled to within-grade increases as...

  4. In vitro evaluation of the activities of the novel anticytomegalovirus compound AIC246 (letermovir) against herpesviruses and other human pathogenic viruses.

    Science.gov (United States)

    Marschall, Manfred; Stamminger, Thomas; Urban, Andreas; Wildum, Steffen; Ruebsamen-Schaeff, Helga; Zimmermann, Holger; Lischka, Peter

    2012-02-01

    AIC246 (letermovir) is a potent anticytomegalovirus drug in clinical development. Here, we report a consistent antiviral efficacy of AIC246 against human cytomegalovirus laboratory strains, clinical isolates, and virus variants resistant to approved drugs. Furthermore, we describe a remarkable selectivity of AIC246 for human cytomegaloviruses compared to that of other alpha-, beta-, or gammaherpesviruses or nonrelated pathogenic viruses, including adeno-, hepadna-, retro-, orthomyxo-, and flaviviruses. Our data confirm and support an excellent and selective anticytomegaloviral activity of AIC246.

  5. Synthesis of Aryl(2,4,6-trimethoxyphenyl)iodonium Trifluoroacetate Salts.

    Science.gov (United States)

    Carreras, Virginie; Sandtorv, Alexander H; Stuart, David R

    2017-01-20

    The direct synthesis of aryl(2,4,6-trimethoxyphenyl)iodonium trifluoroacetate salts from aryl iodides is described. Stoichiometric quantities of trifluoroacetic acid and trimethoxybenzene are used as the counteranion and auxiliary precursors, respectively, under oxidizing conditions. The reaction occurs at mild temperature, is broad in scope, and does not require a separate anion exchange step to install the trifluoroacetate group. The intermediacy of two distinct dicarboxy aryl-λ(3)-iodanes is hypothesized in the mechanism.

  6. Development of the small-molecule antiviral ST-246® as a smallpox therapeutic

    OpenAIRE

    Grosenbach, Douglas W; Jordan, Robert; Hruby, Dennis E

    2011-01-01

    Naturally occurring smallpox has been eradicated, yet it remains as one of the highest priority pathogens due to its potential as a biological weapon. The majority of the US population would be vulnerable in a smallpox outbreak. SIGA Technologies, Inc. has responded to the call of the US government to develop and supply to the Strategic National Stockpile a smallpox antiviral to be deployed in the event of a smallpox outbreak. ST-246® (tecovirimat) was initially identified via a high-throughp...

  7. Manganese determination om minerals by activation analysis, using the californium-252 as a neutron source; Determinacao de manganes em minerios, por analise por ativacao, usando californio-252 como fonte de neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Cardoso, Antonio

    1976-07-01

    Neutron Activation Analysis, using a Californium-252 neutron source, has been applied for the determination of manganese in ores such as pyrolusite, rodonite (manganese silicate)' and blending used in dry-batteries The favorable nuclear properties of manganese, such as high thermal neutron cross-section for the reaction {sup 55}Mn (n.gamma){sup 56} Mn, high concentration of manganese in the matrix and short half - life of {sup 56}Mn, are an ideal combination for non-destructive analysis of manganese in ores. Samples and standards of manganese dioxide were irradiated for about 20 minutes, followed by a 4 to 15 minutes decay and counted in a single channel pulse-height discrimination using a NaI(Tl) scintillation detector. Counting time was equal to 10 minutes. The interference of nuclear reactions {sup 56}Fe(n,p){sup 56}Mn and {sup 59} Co (n, {alpha}){sup 56} were studied, as well as problems in connection with neutron shadowing during irradiation, gamma-rays attenuation during counting and influence of granulometry of samples. One sample,was also analysed by wet-chemical method (sodium bismuthate) in order to compare results. As a whole, i t was shown that the analytical method of neutron activation for manganese in ores and blending, is a method simple, rapid and with good precision and accuracy. (author)

  8. Design of a homogeneous subcritical nuclear reactor based on thorium with a source of californium 252; Diseno de un reactor nuclear subcritico homogeneo a base de Torio con una fuente de Californio 252

    Energy Technology Data Exchange (ETDEWEB)

    Delgado H, C. E.; Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas, Zac. (Mexico); Sajo B, L., E-mail: ce_delgado89@hotmail.com [Universidad Simon Bolivar, Laboratorio de Fisica Nuclear, Apdo. 89000, 1080A Caracas (Venezuela, Bolivarian Republic of)

    2015-10-15

    Full text: One of the energy alternatives to fossil fuels which do not produce greenhouse gases is the nuclear energy. One of the drawbacks of this alternative is the generation of radioactive wastes of long half-life and its relation to the generation of nuclear materials to produce weapons of mass destruction. An option to these drawbacks of nuclear energy is to use Thorium as part of the nuclear fuel which it becomes in U{sup 233} when capturing neutrons, that is a fissile material. In this paper Monte Carlo methods were used to design a homogeneous subcritical reactor based on thorium. As neutron reflector graphite was used. The reactor core is homogeneous and is formed of 70% light water as moderator, 12% of enriched uranium UO{sub 2}(NO{sub 3}){sub 4} and 18% of thorium Th(NO{sub 3}){sub 4} as fuel. To start the nuclear fission chain reaction an isotopic source of californium 252 was used with an intensity of 4.6 x 10{sup 7} s{sup -1}. In the design the value of the effective multiplication factor, whose value turned out k{sub eff} <1 was calculated. Also, the neutron spectra at different distances from the source and the total fluence were calculated, as well as the values of the ambient dose equivalent in the periphery of the reactor. (Author)

  9. Development of the small-molecule antiviral ST-246® as a smallpox therapeutic

    Science.gov (United States)

    Grosenbach, Douglas W; Jordan, Robert; Hruby, Dennis E

    2011-01-01

    Naturally occurring smallpox has been eradicated, yet it remains as one of the highest priority pathogens due to its potential as a biological weapon. The majority of the US population would be vulnerable in a smallpox outbreak. SIGA Technologies, Inc. has responded to the call of the US government to develop and supply to the Strategic National Stockpile a smallpox antiviral to be deployed in the event of a smallpox outbreak. ST-246® (tecovirimat) was initially identified via a high-throughput screen in 2002, and in the ensuing years, our drug-development activities have spanned in vitro analysis, preclinical safety, pharmacokinetics and efficacy testing (all according to the ‘animal rule’). Additionally, SIGA has conducted Phase I and II clinical trials to evaluate the safety, tolerability and pharmacokinetics of ST-246, bringing us to our current late stage of clinical development. This article reviews the need for a smallpox therapeutic and our experience in developing ST-246, and provides perspective on the role of a smallpox antiviral during a smallpox public health emergency. PMID:21837250

  10. Contribution of filamentous fungi to the musty odorant 2,4,6-trichloroanisole in water supply reservoirs and associated drinking water treatment plants.

    Science.gov (United States)

    Bai, Xiuzhi; Zhang, Ting; Qu, Zhipeng; Li, Haipu; Yang, Zhaoguang

    2017-09-01

    In this study, the distribution of 2,4,6-trichloroanisole (2,4,6-TCA) in two water supply reservoirs and four associated drinking water treatment plants (DWTPs) were investigated. The 2,4,6-TCA concentrations were in the range of 1.53-2.36 ng L-1 in water supply reservoirs and 0.76-6.58 ng L-1 at DWTPs. To determine the contribution of filamentous fungi to 2,4,6-TCA in a full-scale treatment process, the concentrations of 2,4,6-TCA in raw water, settled water, post-filtration water, and finished water were measured. The results showed that 2,4,6-TCA levels continuously increased until chlorination, suggesting that 2,4,6-TCA could form without a chlorination reaction and fungi might be the major contributor to the 2,4,6-TCA formation. Meanwhile, twenty-nine fungal strains were isolated and identified by morphological and molecular biological methods. Of the seventeen isolated fungal species, eleven showed the capability to convert 2,4,6-trichlorophenol (2,4,6-TCP) to 2,4,6-TCA. The highest level of 2,4,6-TCA formation was carried out by Aspergillus versicolor voucher BJ1-3: 40.5% of the original 2,4,6-TCP was converted to 2,4,6-TCA. There was a significant variation in the capability of different species to generate 2,4,6-TCA. The results from the proportions of cell-free, cell-attached, and cell-bound 2,4,6-TCA suggested that 2,4,6-TCA generated by fungi was mainly distributed in their extracellular environment. In addition to 2,4,6-TCA, five putative volatile by-products were also identified by gas chromatography and mass spectrometry. These findings increase our understanding on the mechanisms involved in the formation of 2,4,6-TCA and provide insights into managing and controlling 2,4,6-TCA-related problems in drinking water. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Evaluation of Orally Delivered ST-246 as Postexposure Prophylactic and Antiviral Therapeutic in an Aerosolized Rabbitpox Rabbit Model

    National Research Council Canada - National Science Library

    Nalca, Aysegul; Hatkin, Josh M; Garza, Nicole L; Nichols, Donald K; Norris, Sarah W; Hruby, Dennis E; Jordan, Robert

    2008-01-01

    ...) to treat smallpox or monkeypox infection. In this study, we showed that administration of the antiviral compound ST-246 to rabbits by oral gavage, once daily for 14 days beginning 1h postexposure (p.e.), resulted in 100...

  12. Monoklonale Antikörper zum Nachweis von 2,4,6-Trichloranisol in Kork

    OpenAIRE

    Lausterer, Ralph

    2005-01-01

    Die Verbindung 2,4,6-Trichloranisol (TCA) kann in Kork und Wein vorkommen. TCA entsteht durch mikrobielle Umsetzung von Chlorphenolen. In den betroffenen Industrien führt TCA zu jährlichen Verlusten von mehr als einer Milliarde €. Zur Bestimmung von TCA sollten enzymkoppelte Immunabsorptionstest (ELISAs) mit monoklonalen Antikörpern (mAk) entwickelt werden. Es wurden drei TCA-spezifische mAk-produzierende Zelllinien gewonnen. Mit diesen mAk wurden hochsensitive ELISAs hergstellt, die eine Nac...

  13. Fermi LAT Detection of a Gamma-ray Flare from the BL Lac Object ON 246

    Science.gov (United States)

    Becerra, Josefa

    2015-06-01

    The Large Area Telescope (LAT) on board the Fermi Gamma-ray Space Telescope has observed increasing gamma-ray flux from a source positionally consistent with the BL Lac object ON 246 (RA=187.55871 deg, Dec=25.30198 deg, J2000, Beasley et al. 2002, ApJS, 141, 13; with redshift z=0.135, Nass et al. 1996, A&A, 309, 419), also known as S3 1227+25 and 3FGL J1230.3+2519 (3FGL; Acero et al. 2015, arXiv:1501.02003).

  14. The Environmental Fate of 2,4,6-Trichloroaniline Chemical and Physical Pathways.

    Science.gov (United States)

    1983-01-01

    methylene chloride (CHC12) containing an internal standard. The CH2C12 extract is analyzed by gas cromatography using a flame ionization detector. 3...lost rapidly by evaporation from water. Analysis of sediments by gas chromatography/mass spectrometry showed two major substances;. AD, 7 3 E9lN PIO 15O...of N,N’-bis(2,4,6-trjidilorophenyl) urea. This occurs when the urea is injected Into the hot (250 C) Injection port of the gas chromatograph. The

  15. Treatment of Vaccinia and Cowpox Virus Infections in Mice with CMX001 and ST-246

    Directory of Open Access Journals (Sweden)

    Earl R. Kern

    2010-12-01

    Full Text Available Although a large number of compounds have been identified with antiviral activity against orthopoxviruses in tissue culture systems, it is highly preferred that these compounds have activity in vivo before they can be seriously considered for further development. One of the most commonly used animal models for the confirmation of this activity has been the use of mice infected with either vaccinia or cowpox viruses. These model systems have the advantage that they are relatively inexpensive, readily available and do not require any special containment facilities; therefore, relatively large numbers of compounds can be evaluated in vivo for their activity. The two antiviral agents that have progressed from preclinical studies to human safety trials for the treatment of orthopoxvirus infections are the cidofovir analog, CMX001, and an inhibitor of extracellular virus formation, ST-246. These compounds are the ones most likely to be used in the event of a bioterror attack. The purpose of this communication is to review the advantages and disadvantages of using mice infected with vaccinia and cowpox virus as surrogate models for human orthopoxvirus infections and to summarize the activity of CMX001 and ST-246 in these model infections.

  16. Conjugated microporous polymers-based fluorescein for fluorescence detection of 2,4,6-trinitrophenol.

    Science.gov (United States)

    Geng, Tong-Mou; Ye, Sai-Nan; Wang, Yu; Zhu, Hai; Wang, Xie; Liu, Xue

    2017-04-01

    2,4,6-Trinitrophenol (TNP, also called picric acid, PA) pose a large threat to environmental health, public safety and military security. Conjugated microporous polymers are emerging new fluorescence sensing materials for TNP. In this paper, we report the synthesis of two fluorescein containing conjugated microporous polymers (DTF and TTF) through the palladium catalyzed Sonogashira-Hagihara polycondensation reactions of tetraiodofluorescein sodium salt (TIFA) with 1,4-diethynylbenzene (DEB) or 1,3,5-triethynylbenzene (TEB). DTF and TTF are porous with the BET surface areas of 705 and 712m2g-1 and exhibit high chemical and thermal stabilities. The formation of conjugated polymers with the incorporation of ethynyl groups leads to the fluorescent properties. The fluorescence quenching behaviors of DTF by nitroaromatic analytes in THF suspension are investigated. It is found that the fluorescence of DTF can be effectively quenched by 2,4,6-trinitrophenol over 2-nitrophenol (NP), 4-nitrotoluene (NT), nitrobenzene (NB), phenol (PhOH), p-dichlorobenzene (DClB) and 2,4-dinitrotoluene (DNT) with an SV constant of 2.08×103Lmol-1 and a detection limit of 7.22×10-7molL-1 (0.165mgL-1). In short, the DTF may be a new kind of fluorescence sensing material for detecting TNP. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Treatment of Vaccinia and Cowpox Virus Infections in Mice with CMX001 and ST-246.

    Science.gov (United States)

    Quenelle, Debra C; Kern, Earl R

    2010-12-01

    Although a large number of compounds have been identified with antiviral activity against orthopoxviruses in tissue culture systems, it is highly preferred that these compounds have activity in vivo before they can be seriously considered for further development. One of the most commonly used animal models for the confirmation of this activity has been the use of mice infected with either vaccinia or cowpox viruses. These model systems have the advantage that they are relatively inexpensive, readily available and do not require any special containment facilities; therefore, relatively large numbers of compounds can be evaluated in vivo for their activity. The two antiviral agents that have progressed from preclinical studies to human safety trials for the treatment of orthopoxvirus infections are the cidofovir analog, CMX001, and an inhibitor of extracellular virus formation, ST-246. These compounds are the ones most likely to be used in the event of a bioterror attack. The purpose of this communication is to review the advantages and disadvantages of using mice infected with vaccinia and cowpox virus as surrogate models for human orthopoxvirus infections and to summarize the activity of CMX001 and ST-246 in these model infections.

  18. In Vitro Evaluation of the Activities of the Novel Anticytomegalovirus Compound AIC246 (Letermovir) against Herpesviruses and Other Human Pathogenic Viruses

    OpenAIRE

    Marschall, Manfred; Stamminger, Thomas; Urban, Andreas; Wildum, Steffen; Ruebsamen-Schaeff, Helga; Zimmermann, Holger; Lischka, Peter

    2012-01-01

    AIC246 (letermovir) is a potent anticytomegalovirus drug in clinical development. Here, we report a consistent antiviral efficacy of AIC246 against human cytomegalovirus laboratory strains, clinical isolates, and virus variants resistant to approved drugs. Furthermore, we describe a remarkable selectivity of AIC246 for human cytomegaloviruses compared to that of other alpha-, beta-, or gammaherpesviruses or nonrelated pathogenic viruses, including adeno-, hepadna-, retro-, orthomyxo-, and fla...

  19. MEISENHEIMER COMPLEX BETWEEN 2,4,6-TRINITROTOLUENE AND 3-AMINOPROPYLTRIETHOXYSILANE AND ITS USE FOR A PAPER-BASED SENSOR.

    Science.gov (United States)

    Hughes, Shantelle; Dasary, Samuel S R; Begum, Salma; Williams, Nya; Yu, Hongtao

    2015-09-01

    2,4,6-Trinitrotoluene (TNT) forms a red-colored Meisenheimer complex with 3-aminopropyltrenthoxysilane (APTES) both in solution and on solid phase. The TNT-APTES complex is unique since it forms yellow-colored complexes with 2,4,6-trinitrophenol and 4-nitrophenol, and no complex with 2,4-dinitrotoluene. The absorption spectrum of TNT-APTES has two absorption bands at 530 and 650 nm, while APTES complexes with 2,4,6-trinitrophenol and 4-nitrophenol have absorption maxima at around 420 nm, and no absorption change for 2,4-dinitrotoluene. The TNT-APTES complex facilitates the exchange of the TNT-CH3 proton/deuteron with solvent molecules. The red color of TNT-APTES is immediately visible at 1 µM of TNT.

  20. Meisenheimer complex between 2,4,6-trinitrotoluene and 3-aminopropyltriethoxysilane and its use for a paper-based sensor

    Directory of Open Access Journals (Sweden)

    Shantelle Hughes

    2015-09-01

    Full Text Available 2,4,6-Trinitrotoluene (TNT forms a red-colored Meisenheimer complex with 3-aminopropyltrienthoxysilane (APTES both in solution and on solid phase. The TNT–APTES complex is unique since it forms yellow-colored complexes with 2,4,6-trinitrophenol and 4-nitrophenol, and no complex with 2,4-dinitrotoluene. The absorption spectrum of TNT–APTES has two absorption bands at 530 and 650 nm, while APTES complexes with 2,4,6-trinitrophenol and 4-nitrophenol have absorption maxima at around 420 nm, and no absorption change for 2,4-dinitrotoluene. The TNT–APTES complex facilitates the exchange of the TNT-CH3 proton/deuteron with solvent molecules. The red color of TNT–APTES is immediately visible at 1 μM of TNT.

  1. Derivation of predicted no effect concentrations (PNEC) for 2,4,6-trichlorophenol based on Chinese resident species.

    Science.gov (United States)

    Jin, Xiaowei; Zha, Jinmiao; Xu, Yiping; Giesy, John P; Richardson, Kristine L; Wang, Zijian

    2012-01-01

    2,4,6-Trichlorophenol (2,4,6-TCP) is a common chemical intermediate and a by-product of water chlorination and combustion processes, and is a priority pollutant of the aquatic environment in many countries. Although information on the toxicity of 2,4,6-TCP is available, there is a lack of information on the predicted no-effect concentration (PNEC) of 2,4,6-TCP, mainly due to the shortage of chronic and site-specific toxicity data. In the present study, acute and sub-chronic toxicity of 2,4,6-TCP on six different resident Chinese aquatic species were determined. PNEC values were calculated and compared by use of two approaches: assessment factor (AF) and species sensitivity distribution (SSD). Values for acute toxicity ranged from 1.1 mg L(-1) (Plagiognathops microlepis) to 42 mg L(-1) (Corbicula fluminea) and the sub-chronic no observed effect concentrations (NOECs) ranged from 0.05 mg L(-1) (Mylopharyngodon piceus) to 2.0 mg L(-1) (C. fluminea). PNECs obtained by the assessment factor approach with acute (AF=1000, 0.001 mg L(-1)) or chronic (AF=10, 0.005 mg L(-1)) toxicity data were one order of magnitude less than those from SSD methods (0.057 mg L(-1)). PNEC values calculated using SSD methods with a 50% certainty for 2,4,6-TCP was less than those obtained by use of the USEPA recommend final chronic value (FCV) method (0.097 mg L(-1)) and the one obtained by use of the USEPA recommend acute-to-chronic (ACR) methods (0.073 mg L(-1)). PNECs derived using AF methods were more protective and conservative than that derived using SSD methods. Copyright © 2011 Elsevier Ltd. All rights reserved.

  2. Progressive Vaccinia: Case Description and Laboratory-Guided Therapy With Vaccinia Immune Globulin, ST-246, and CMX001

    Science.gov (United States)

    Lederman, Edith R.; Davidson, Whitni; Groff, Harold L.; Smith, Scott K.; Warkentien, Tyler; Li, Yu; Wilkins, Kimberly A.; Karem, Kevin L.; Akondy, Rama S.; Ahmed, Rafi; Frace, Michael; Shieh, Wun-Ju; Zaki, Sherif; Hruby, Dennis E.; Painter, Wendy P.; Bergman, Kimberly L.; Cohen, Jeffrey I.; Damon, Inger K.

    2012-01-01

    Progressive vaccinia (PV) is a rare but potentially lethal complication that develops in smallpox vaccine recipients with severely impaired cellular immunity. We describe a patient with PV who required treatment with vaccinia immune globulin and who received 2 investigational agents, ST-246 and CMX001. We describe the various molecular, pharmacokinetic, and immunologic studies that provided guidance to escalate and then successfully discontinue therapy. Despite development of resistance to ST-246 during treatment, the patient had resolution of PV. This case demonstrates the need for continued development of novel anti-orthopoxvirus pharmaceuticals and the importance of both intensive and timely clinical and laboratory support in management of PV. PMID:22904336

  3. Bioslurry treatment for soils contaminated with very high concentrations of 2,4,6-trinitrophenylmethylnitramine (tetryl).

    Science.gov (United States)

    Fuller, Mark E; Kruczek, Jessica; Schuster, Rachel L; Sheehan, Pamela L; Arienti, Per M

    2003-06-27

    Past and current DoD activities have resulted in the contamination of soil, sediment and groundwater with various explosive compounds. This research was undertaken to determine the effectiveness of a soil bioslurry process for remediation of soil with very high concentrations of 2,4,6-trinitrophenylmethylnitramine (tetryl). A 99.9% reduction in tetryl concentrations (from 100,000 to below 100 mg/kg) was achieved in 180 to 200 days. A variety of process modifications (i.e. addition of fertilizer, microbial biomass, purging with nitrogen, etc.) that were performed during the course of the experiment did not increase the tetryl biodegradation rate beyond the rates of degradation without modifications. Subsequent batches of soil added as a 25% (v/v) replacement of the slurry were also degraded. These results indicate the potential for this process to remediate highly contaminated soils at many former and current ammunition manufacturing sites.

  4. A Versatile Synthesis of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB)

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, A R; Pagoria, P F; Schmidt, R D; Coburn, M D; Lee, G S; Hsu, P C

    2006-04-06

    A safe and versatile synthesis of high-purity 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) based on vicarious nucleophilic substitution (VNS) chemistry has now been achieved. The starting material can be selected from a variety of inexpensive nitroarenes obtained from commercial suppliers (4-nitroaniline, picric acid) or U.S. stockpiles (ammonium picrate, TNT). The use of picric acid and ammonium picrate (Explosive D) is preferred as both compounds are directly converted to picramide in the presence of ammonium salts (diammonium hydrogen phosphate, ammonium carbamate) in sulfolane at elevated temperature. The picramide resulting from this process is directly converted to TATB using an optimized VNS reaction employing inexpensive hydroxylamine as the nucleophilic aminating reagent. A crucial element in our synthesis is a novel and efficient purification of TATB.

  5. The properties of quintet dinitrenes in 2,4,6-triazido-3,5-dichloropyridine crystals

    Science.gov (United States)

    Kuzina, S. I.; Korchagin, D. V.; Shilov, G. V.; Mikhailov, A. I.; Chapyshev, S. V.; Aldoshin, S. M.

    2008-11-01

    The gamma radiolysis of crystalline 2,4,6-triazido-3,5-dichloropyridine (TACP) was studied by the EPR method. The molecular and crystal structure of TACP was determined by X-ray structure analysis. The prolonged radiolysis of TACP at 77 K caused the appearance of characteristic EPR signals of quintet 2,6-dinitreno-4-azido-3,5-dichloropyridine (2,6-DN) and 2,4-dinitreno-6-azido-3,5-dichloropyridine (2,4-DN). The predominant decomposition of the α-azide groups of TACP was explained by the special features of its molecular and crystal structure. The saturation of the EPR signals of quintet 2,6-DN and 2,4-DN and one-electron radicals with S = 1/2 as the microwave field power increased was studied. The quintet dinitrenes were found to be thermally unstable; they remained in TACP crystals up to 245 250 K.

  6. Reliability of optical fibres and components final report of COST 246

    CERN Document Server

    Griffioen, Willem; Gadonna, Michel; Limberger, Hans; Heens, Bernard; Knuuttila, Hanna; Kurkjian, Charles; Mirza, Shehzad; Opacic, Aleksandar; Regio, Paola; Semjonov, Sergei

    1999-01-01

    Reliability of Optical Fibres and Components reports the findings of COST 246 (1993-1998) - European research initiative in the field of optical telecommunications. Experts in the materials and reliability field of optical fibres and components have contributed to this unique study programme. The results, conclusions and achievements of their work have been obtained through joint experimentation and discussion with representatives from manufacturing and research groups. Topics covered include: Lifetime estimation; Failure mechanisms; Ageing test methods; Field data and service environments for components. For the first time the reader can explore the reliability of products and examine the results and conclusions in published form. This comprehensive volume is intended to provide a deeper understanding of the reliability of optical fibres and components. The book will be extremely useful to all scientists and practitioners involved in the industry.

  7. Adsorption of 2,4,6-trinitrotoluene on carboxylated porous polystyrene microspheres

    Energy Technology Data Exchange (ETDEWEB)

    Ye Zhengfang [Department of Environmental Engineering, Peking University, Key Laboratory of Water and Sediment Sciences, Ministry of Education, Beijing 100871 (China); Meng Qingqiang, E-mail: mengqingqiang@pku.edu.cn [Department of Environmental Engineering, Peking University, Key Laboratory of Water and Sediment Sciences, Ministry of Education, Beijing 100871 (China); Lu Shengtao [Department of Environmental Engineering, Peking University, The Key Laboratory of Water and Sediment Sciences, Ministry of Education, Beijing 100871 (China); College of Life Sciences, Hebei University, Baoding 071002 (China)

    2012-02-01

    Large-pore-size (150 nm) polystyrene (PSt) microspheres were carboxylated with phthalic anhydride (PA) through Friedel-Crafts acetylation to study the adsorption of 2,4,6-trinitrotoluene (TNT) on this material from aqueous solution. The scanning electron microscope (SEM) images and mercury porosimetry measurements (MPM) of the microspheres showed that the pore structure was unchanged during the reaction. High adsorption capacity (11.2 mg g{sup -1} of suction-dried adsorbent) and adsorption rate (33.9 mg g{sup -1} h{sup -1}) for TNT were observed during the study. As shown by the adsorption isotherm, the adsorption of TNT on PA-PSt can be described by the Freundlich adsorption equation, indicating heterogeneous adsorption process. On-column adsorption of TNT on PA-PSt and elution indicated that TNT can be completely removed from aqueous solution and condensed into acetone.

  8. A study of the pyramidality index in tris(2,4,6-triisopropylphenyl)phosphonium perchlorate.

    Science.gov (United States)

    Boeré, René T; Zhang, Yuankui

    2013-09-01

    The title compound, C45H70P(+)·ClO4(-) or [Tripp3PH(+)][ClO4(-)], was produced from the perchlorate salt of the corresponding radical cation Tripp3P(·+) through very slow H-atom abstraction reactions in a solution of 1,2-dimethoxyethane (Tripp is 2,4,6-triisopropylphenyl). The H atom on the P atom was located in a difference map and was freely refined with an isotropic displacement consistent with full occupancy [P-H = 1.37 (3) Å]. It is the most sterically congested triarylphosphonium salt yet to be reported and has a `propeller' arrangement of the three Tripp groups around the P atom, with the protonation site located along the molecular threefold axis. There are short contacts between the flanking isopropyl methine H atoms and the P atom [P···H = 1.99 (2)-2.17 (2) Å]. The sum of the angles around the P atom [Σ(C-P-C) = 349.9 (6)°] is a convenient index of pyramidality for tricoordinate centres. This value is significantly larger than in analogous Mes3PH(+) salts (Mes is mesityl or 2,4,6-trimethylphenyl), for which the average of the three reported structures in the literature is Σ(C-P-C) = 345.3 (6)°. For comparison, in the ubiquitous Ph3PH(+) salts, this parameter has a typical average value of only 333.3 (9)°. The value of Σ(C-P-C) in the title compound is midway between that of the neutral phosphane Tripp3P [334.4 (6)°] and the phosphoniumyl radical cation Tripp3P(·+) [359.8 (2)°]. This geometrical feature provides additional support for the assignment as a phosphonium salt.

  9. Effective biodegradation of 2,4,6-trinitrotoluene using a novel bacterial strain isolated from TNT-contaminated soil

    NARCIS (Netherlands)

    Gümüscü, B.; Tekinay, Turgay

    2013-01-01

    In this environmental-sample based study, rapid microbial-mediated degradation of 2,4,6-trinitrotoluene (TNT) contaminated soils is demonstrated by a novel strain, Achromobacter spanius STE 11. Complete removal of 100 mg L−1 TNT is achieved within only 20 h under aerobic conditions by the isolate.

  10. Preparation and characterization of molecularly-imprinted magnetic microspheres for adsorption of 2,4,6-trichlorophenol from aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Ping; Pan, Jianming; Yan, Yongsheng [Jiangsu University, Zhenjiang (China); Sun, Qilong; Li, Jianfeng; Tan, Zhenjiang [Jilin Normal University, Siping (China)

    2015-04-15

    Magnetic molecularly imprinted microspheres (MMIS) were successfully prepared by suspension polymerization, and then as-prepared MMIS were used as adsorbents for selective recognition of 2,4,6-trichlorophenol (2,4,6-TCP) from aqueous solutions. The results composites were characterized by Fourier transform infrared (FT-IR), X-ray diffraction (XRD), thermo gravimetric analysis (TGA), scanning electron microscope (SEM) and vibrating sample magnetometer (VSM). The results demonstrated that MMIS possesses porous spherical morphology, and exhibits good thermal stability and magnetic property (Ms=10.14 emu g{sup -1}). Then batch mode of binding experiments was used to determine the equilibrium, kinetics and selectivity recognition. The Langmuir isotherm model fitted the equilibrium data better than did the Freundlich model, and the maximum adsorption capacity on MMIS was about 1.7 times higher than that of MNIS. Kinetics behaviors of MMIS were well described by the pseudo-second-order model. MMIS possessed outstanding selectivity recognition for 2,4,6-TCP in the presence of other competitive phenols (such as sesamol, 3-CP, thymol, 2,4-DCP). Furthermore, the reusability performance of MMIS showed about 17.53% loss after five repeated cycles. Finally, the MMIS were successfully applied to the selective extraction of 2,4,6-TCP from the vegetable samples.

  11. Practical ruthenium-catalyzed cyclocarbonylation of allenyl alcohols in 2,4,6-collidine leading to alpha,beta-unsaturated lactones: concise stereoselective synthesis of (+)-isomintlactone.

    Science.gov (United States)

    Tsubuki, Masayoshi; Takahashi, Kazunori; Honda, Toshio

    2009-02-06

    We have found that ruthenium-catalyzed cyclocarbonylation of allenyl alcohols in 2,4,6-collidine under atmospheric pressure of carbon monoxide smoothly proceeds to afford alpha,beta-unsaturated five- and six-membered lactones in moderate to good yields. Furthermore, we have completed a highly stereoselective synthesis of (+)-isomintlactone by the cyclocarbonylation of allenyl alcohol using 2,4,6-collidine.

  12. 8B.07: RESULTS FROM THE UK RENAL DENERVATION AFFILIATION- 246 CASES FROM 17 CENTRES.

    Science.gov (United States)

    Sharp, A; Hameed, A; Nightingale, A; Martin, U; Mark, P; Mckane, W; Cunnington, M; Lobo, M; Mahadevan, K; Richardson, T; Gerber, R; Clifford, P; Burchell, A; Doulton, T; Dimario, C; Thackray, S; Redwood, S; Davies, J; Antonios, T; Dasgupta, I

    2015-06-01

    To describe the UK experience with Renal Denervation (RDN). RDN may lower blood pressure (BP) in people with resistant hypertension.The UK Renal Denervation Affiliation is an independent, investigator-led initiative. Each centre had done >5 cases. A standardised dataset was collected retrospectively, anonymised and submitted to the coordinating centre for analysis. Results from 246 cases from 16 centres are reported. Average cases per centre was 15. Five different ablation technologies were used: unipolar catheters in 198 and multipolar in 48.Mean age was 56.7 years, 53% female, 87% Caucasian and 27% diabetes. Previous stroke/TIA - 24%; myocardial infarction - 15%; proteinuria - 26%.Patients were screened by a mean of 1.6 specialists with an interest in hypertension. 86% attended specialist hypertension clinics.On average 4.7 drugs were used before RDN; 95% were on 3+ drugs; 90% were on RAS blockers, 90% diuretics and 56% aldosterone antagonists at time of RDN.Pre-RDN mean office BP was 186/102 mmHg. Ambulatory blood pressure monitoring (ABP) data were available for 179 patients (73%). Average pre-RDN ABP was: daytime - 170/98; night - 154/86.Average follow-up was 10.7 months. Mean Office BP post-RDN was 164/93, a fall of 22/9 mmHg (P 20 mmHg. A decrease in GFR >25% was seen at 10 months in 5% patients. Otherwise, no significant complications were seen. In a cohort of 246 patients from 16 UK centres who had undergone renal denervation, a significant fall in blood pressure was observed. Office BP fell by 22/9 mmHg. Daytime ambulatory BP fell by 12/6 mmHg.Carefully selected patients with resistant hypertension exhibited significant BP reduction following RDN. This was a group with severe hypertension who had been well characterised in specialist hypertension clinics. Drug additions/withdrawals did not appear to explain the BP fall.

  13. Visual detection of 2,4,6-trinitrotolune by molecularly imprinted colloidal array photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Wei [School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing, 100081 (China); Asher, Sanford A., E-mail: asher@pitt.edu [Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260 (United States); Meng, Zihui, E-mail: m_zihui@yahoo.com [School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing, 100081 (China); Yan, Zequn [School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing, 100081 (China); Xue, Min, E-mail: minxue@bit.edu.cn [School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing, 100081 (China); Qiu, Lili, E-mail: qiulili@bit.edu.cn [School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing, 100081 (China); Yi, Da [School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing, 100081 (China)

    2016-10-05

    Graphical abstract: Molecularly imprinted colloidal array (MICA) was explored for the selective visual detection of TNT with color changing from green to red. And molecularly imprinted colloidal particles (MICs) were evaluated for the adsorption capacity and the imprinting efficiency. The MICA had excellent flexibility, reversibility and stability. It promised high potential for the visual semi-quantitative detection of other explosives. - Highlights: • Molecularly imprinted colloidal array (MICA) was used to visually detect TNT. • The relationship of particle size, diffracted wavelength and color was discussed. • The adsorption capacity and imprinting efficiency of MICs were calculated. • MICA had short response time, high selectivity, good reversibility and stability. • MICA had high potential to be used in other customed visual explosive detection. - Abstract: We developed a photonic crystal (PhC) sensor for the quantification of 2,4,6-trinitrotoluene (TNT) in solution. Monodisperse (210 nm in diameter) molecularly imprinted colloidal particles (MICs) for TNT were prepared by the emulsion polymerization of methyl methacrylate and acrylamide in the presence of TNT as a template. The MICs were then self-assembled into close-packed opal PhC films. The adsorption capacity of the MICs for TNT was 64 mg TNT/g. The diffraction from the PhC depended on the TNT concentration in a methanol/water (3/2, v/v) potassium dihydrogen phosphate buffer solution (pH = 7.0, 30 mM). The limit of detection (LOD) of the sensor was 1.03 μg. The color of the molecularly imprinted colloidal array (MICA) changed from green to red with an 84 nm diffraction red shift when the TNT concentration increased to 20 mM. The sensor response time was 3 min. The PhC sensor was selective for TNT compared to similar compounds such as 2,4,6-trinitrophenol, 2,4-dinitrotoluene, 2,6-dinitrotoluene, 2-nitromesitylene, 4-nitrotoluene, 2-nitrotoluene, 1,3-dinitrobenzene, methylbenzene, 4-nitrophenol

  14. Treatment of 2,4,6-trinitrotoluene (TNT) red water by vacuum distillation.

    Science.gov (United States)

    Zhao, Quanlin; Ye, Zhengfang; Zhang, Mohe

    2010-08-01

    2,4,6-Trinitrotoluene (TNT) red water from Chinese explosive industry was treated by vacuum distillation. The water quality before and after distillation was evaluated using high performance liquid chromatograph, UV-vis spectroscopy, Gas Chromatography/Mass Spectroscopy (GC/MS) and other physical and chemical analyses. The acute toxicity of TNT red water and its distillate was evaluated by determining the luminescence inhibition of Vibrio qinghaiensis sp. Nov. The results showed that the parameters except pH of the distillate met the criterion specified by the Chinese discharge standard for water pollutants from ordnance industry. Distillation removed chemical oxygen demand almost completely and the chrominance was reduced from 100,000 degrees to 17 degrees . The concentrations of 2,4-dinitrotoluene-3-sulfonate and 2,4-dinitrotoluene-5-sulfonate decreased from 20 x 10(3) and 31 x 10(3)mg L(-1) to 1.3 and 1.8 mg L(-1), respectively. GC/MS results showed that most of the organic components of TNT red water can be removed by distillation. The acute toxicity of water sample after distillation reduced 96%, compared with that of unprocessed TNT red water. (c) 2010 Elsevier Ltd. All rights reserved.

  15. Construction of a Pseudomonas hybrid strain that mineralizes 2,4,6-trinitrotoluene.

    Science.gov (United States)

    Duque, E; Haidour, A; Godoy, F; Ramos, J L

    1993-01-01

    A bacterium, Pseudomonas sp. strain C1S1, able to grow on 2,4,6-trinitrotoluene (TNT), 2,4- and 2,6-dinitrotoluene, and 2-nitrotoluene as N sources, was isolated. The bacterium grew at 30 degrees C with fructose as a C source and accumulated nitrite. Through batch culture enrichment, we isolated a derivative strain, called Pseudomonas sp. clone A, which grew faster on TNT and did not accumulate nitrite in the culture medium. Use of TNT by these two strains as an N source involved the successive removal of nitro groups to yield 2,4- and 2,6-dinitrotoluene, 2-nitrotoluene, and toluene. Transfer of the Pseudomonas putida TOL plasmid pWW0-Km to Pseudomonas sp. clone A allowed the transconjugant bacteria to grow on TNT as the sole C and N source. All bacteria in this study, in addition to removing nitro groups from TNT, reduced nitro groups on the aromatic ring via hydroxylamine to amino derivatives. Azoxy dimers probably resulting from the condensation of partially reduced TNT derivatives were also found. PMID:8468288

  16. High uptake of 2,4,6-trinitrotoluene by vetiver grass - Potential for phytoremediation?

    Energy Technology Data Exchange (ETDEWEB)

    Makris, Konstantinos C. [Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, 6900 North Loop 1604 West, One UTSA Circle, San Antonio, TX 78249-0663 (United States); Shakya, Kabindra M. [Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, 6900 North Loop 1604 West, One UTSA Circle, San Antonio, TX 78249-0663 (United States); Datta, Rupali [Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, 6900 North Loop 1604 West, One UTSA Circle, San Antonio, TX 78249-0663 (United States); Sarkar, Dibyendu [Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, 6900 North Loop 1604 West, One UTSA Circle, San Antonio, TX 78249-0663 (United States)]. E-mail: dibyendu.sarkar@utsa.edu; Pachanoor, Devanand [Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, 6900 North Loop 1604 West, One UTSA Circle, San Antonio, TX 78249-0663 (United States)

    2007-03-15

    2,4,6-Trinitrotoluene (TNT) is a potent mutagen, and a Group C human carcinogen that has been widely used to produce munitions and explosives. Vast areas that have been previously used as ranges, munition burning, and open detonation sites are heavily contaminated with TNT. Conventional remediation activities in such sites are expensive and damaging to the ecosystem. Phytoremediation offers a cost-effective, environment-friendly solution, utilizing plants to extract TNT from contaminated soil. We investigated the potential use of vetiver grass (Vetiveria zizanioides) to effectively remove TNT from contaminated solutions. Vetiver grass plants were grown in hydroponic systems containing 40 mg TNT L{sup -1} for 8 d. Aqueous concentrations of TNT reached the method detection limit ({approx}1 {mu}g L{sup -1}) within the 8-d period, demonstrating high affinity of vetiver for TNT, without any visible toxic effects. Results from this preliminary hydroponic study are encouraging, but in need of verification using TNT-contaminated soils. - Vetiver grass demonstrates ability to absorb TNT in aqueous media.

  17. [Pathological stage T3 prostate cancer after radical prostatectomy: a retrospective study of 246 cases].

    Science.gov (United States)

    Roche, J-B; Malavaud, B; Soulié, M; Cournot, M; Gamé, X; Mazerolles, C; Bachaud, J-M; Plante, P; Rischmann, P

    2008-10-01

    To determine the survival and prognosis criteria of pT3NxM0 prostate tumours (TNM 2002) after radical retropubic prostatectomy (RRP). Between 1988 and 2000, 606 consecutive RRP were performed for T1-3 tumours, whose 246 (40.6%) specimens were classified pT3, followed in 53 cases by adjuvant radiotherapy and in 71 cases by salvage radiotherapy. Fifty-five patients received postoperative hormonotherapy at the time of biochemical recurrence. Biochemical recurrence was determined by two PSA values greater than 0.2 ng/ml. Mean age of this group was 65 years at surgery. Mean follow-up was 91.4 months. Mean preoperative PSA was 12.8 ng/ml. Distribution of cases was 170 pT3a (69.1%) and 76 (30,9%). At 10 years, the biochemical progression-free, metastasis-free, specific and overall survival was 54, 86, 92 and 75% respectively. Worse biochemical prognostic factors were lymph node extension, high Gleason score, high preoperative PSA, seminal vesicles involvement, positive surgical margins and adjuvant radiotherapy absence. This study shows that pT3 tumours treated with therapeutic associations including RRP presents an excellent specific survival at 10 years. The determination of biochemical recurrence prognostic factors could help to select patients who need complementary treatments after surgery.

  18. Models of 2,4,6-trinitrotoluene (TNT) initial conversion by yeasts.

    Science.gov (United States)

    Zaripov, S A; Naumov, A V; Abdrakhmanova, J F; Garusov, A V; Naumova, R P

    2002-12-17

    The original models of the initial steps of 2,4,6-trinitrotoluene (TNT) conversion by yeasts are presented. Saccharomyces sp. ZS-A1 reduced nitro groups of TNT producing isomeric monohydroxylaminodinitrotoluenes (HADNT) as the key initial metabolites (molar ratio HADNT/TNT was up to 0.81), whereas aminodinitrotoluenes (ADNT) and the hydride-Meisenheimer complex of TNT (H-TNT) were the minor products. Conversely, Candida sp. AN-L13 transformed TNT almost quantitatively into H-TNT, thus realizing the alternative attack, consisting of the TNT aromatic ring reduction. The third type of conversion, revealed in Candida sp. AN-L14, is the combination of both above mechanisms and produces an equimolar mix of HADNT and H-TNT. In the toxicity tests with Paramecium caudatum, the supernatant of Saccharomyces sp. ZS-A1, which converts TNT into HADNT, was most toxic while the supernatant of Candida sp. AN-L13 (TNT --> H-TNT) was least toxic. The microorganisms converting TNT quantitatively to the reactive metabolites can be useful for their immobilization through the detoxifying interaction with the soil components such as humic compounds. Copyright 2002 Federation of European Microbiological Societies

  19. [Alternative pathways of the initial transformation of 2,4,6-trinitrotoluene by yeasts].

    Science.gov (United States)

    Zaripov, S A; Naumov, A V; Nikitina, E V; Naumova, R P

    2002-01-01

    A new model for the initial transformation of 2,4,6-trinitrotoluene (TNT) by facultatively anaerobic and aerobic yeasts is presented. The model is based on the data that Saccharomyces sp. ZS-A1 was able to reduce the nitrogroups of TNT with the formation of 2- and 4-hydroxyaminodinitrotoluenes (2-HADNT and 4-HADNT) as the major early TNT metabolites (the molar HADNT/TNT ratio reached 0.81), whereas aminodinitrotoluenes (ADNTs) and the hydride-Meisenheimer complex of TNT (H-TNT) were the minor products. Candida sp. AN-L13 almost completely transformed TNT into H-TNT through the reduction of the aromatic ring. Candida sp. AN-L14 transformed TNT through a combination of the two mechanisms described. Aeration stimulated the production of HADNT from TNT, whereas yeast incubation under stationary conditions promoted the formation of HADNT. The transformation of TNT into HADNT led to a tenfold increase in the acute toxicity of the TNT preparation with respect to Paramecium caudatum, whereas the increase in the toxicity was about twofold in the case of the alternative attack at the aromatic ring.

  20. Study on the colorimetric properties of 2,4,6-triarylpyridine derivative compound for imaging Formaldehyde

    Science.gov (United States)

    Ovianto, D.; Ma’ruf, F. A. R.; Fadilah, N. N.; Sugiharta, I. B. A. R.; Purwono, B.

    2017-11-01

    The derivative compound of 2,4,6-triarylpyridine was synthesized in two steps. The target compound was tested as colorimetric chemosensor against formaldehyde and the limit of detection was also determined using spectrophotometer UV-vis. The first step of the synthesis was the formation of 4-phenyl-2,6-bis(4-nitrophenyl)pyridine compound (1) from 4-nitroacetophenon and benzaldehyde. The second step of the synthesis was the formation of 4-phenyl-2,6-bis-(4-aminophenyl)pyridine (2) from reduction of the nitro group in compound 1 by HCl 37% solution and Sn metal. Compound 1 and 2 were characterized by spectrometers FTIR, 1H NMR and direct inlet-mass spectrometry. The results showed that compound 1 was synthesized with a yield of 78.3% and compound 2 with a yield of 68.9%. Compound 2 as chemosensor showed color transition from colorless to yellow in chemosensor test against formaldehyde in ethanol solvent. The limit of detection of formaldehyde was measured as 4.7×10-3 M using spectrophotometer UV-vis.

  1. Molecularly Imprinted Nanofiber Film for Sensitive Sensing 2,4,6-Tribromophenol

    Directory of Open Access Journals (Sweden)

    Limei Huang

    2016-06-01

    Full Text Available The determination of brominated flame retardants is of great importance, but remains a challenge. Particularly, universal and facile approaches are limited. Here we report a new general approach, combining molecular imprinting and electrospinning, for the efficient and facile imprinting sensor of 2,4,6-tribromophenol (TBP, which was used as a “novel” brominated flame retardant. With TBP as the template molecular, β-cyclodextrin (β-CD as the functional monomer, and poly-vinylbutyral (PVB as the electro-spinning matrix, the nanofiber film was deposited on the glassy carbon electrode (GCE via electrospinning technique directly. The β-CD-PVB/GCE sensor system exhibited excellent TBP sensing performances, such as a low detection limit (6.29 × 10−10 mol·L−1 at room temperature, selective recognition to TBP/phenol/4-methyl-phenol, and good regeneration performance. The approach of fabricating a molecular imprinting nanofiber sensor may shed new light in the detection of other phenolic pollutants.

  2. Degradation of 2,4,6-trinitrotoluene by P. aeruginosa and characterization of some metabolites

    Directory of Open Access Journals (Sweden)

    Hatice Aysun Mercimek

    2015-03-01

    Full Text Available Degradation of 2,4,6-trinitrotoluene (TNT, a nitroaromatic explosive found in the soil and ground water, was investigated using Pseudomonas aeruginosa in in vitroexperiments. Biodegradable abilitiy of this bacteria was performed with 50 and 75 mg L−1 TNT concentrations in a defined liquid medium for 96 h time period. Treatment of TNT in supernatant samples taken at 0, 6, 12, 24, 48, 72 and 96 h from agitated vessels was followed by reverse-phase high-performance liquid chromatography (HPLC. In cultures supplemented with 50 and 75 mgL−1 TNT, after 96 h of incubation 46% and 59% reduction were detected respectively. Two metabolites as degradation intermediates with nitrite release into the medium, 2,4-dinitrotoluene (2,4-DNT and 4-aminodinitrotoluene (4-ADNT, were elucidated by thin layer chromatography (TLC and gas chromatography-mass spectrometry (GC-MS. These findings clearly indicate that Pseudomonas aeruginosa can be used in bioremediation of TNT contaminated sites.

  3. Chemically catalyzed uptake of 2,4,6-trinitrotoluene by Vetiveria zizanioides

    Energy Technology Data Exchange (ETDEWEB)

    Makris, Konstantinos C. [Environmental Geochemistry Laboratory, Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249 (United States); Shakya, Kabindra M. [Environmental Geochemistry Laboratory, Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249 (United States); Datta, Rupali [Environmental Geochemistry Laboratory, Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249 (United States); Sarkar, Dibyendu [Environmental Geochemistry Laboratory, Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249 (United States)]. E-mail: dibyendu.sarkar@utsa.edu; Pachanoor, Devanand [Environmental Geochemistry Laboratory, Department of Earth and Environmental Science, College of Sciences, University of Texas at San Antonio, One UTSA Circle, San Antonio, TX 78249 (United States)

    2007-07-15

    The efficiency of vetiver grass (Vetiveria zizanioides) in removing 2,4,6-trinitrotoluene (TNT) from aqueous media was explored in the presence of a common agrochemical, urea, used as a chaotropic agent. Chaotropic agents disrupt water structure, increasing solubilization of hydrophobic compounds (TNT), thus, enhancing plant TNT uptake. The primary objectives of this study were to: (i) characterize TNT absorption by vetiver in hydroponic media, and (ii) determine the effect of urea on chemically catalyzing TNT uptake by vetiver grass in hydroponic media. Results showed that vetiver exhibited a high TNT uptake capacity (1.026 mg g{sup -1}), but kinetics were slow. Uptake was considerably enhanced in the presence of urea, which significantly (p<0.001) increased the 2nd-order reaction rate constant over that of the untreated (no urea) control. Three major TNT metabolites were detected in the roots, but not in the shoot, namely 1,3,5-trinitrobenzene, 4-amino 2,6-dinitrotoluene, and 2-amino 4,6-dinitrotoluene, indicating TNT degradation by vetiver grass. - A common agrochemical, urea catalyzes TNT removal by vetiver grass in aqueous media.

  4. PBCDD/F formation from radical/radical cross-condensation of 2-Chlorophenoxy with 2-Bromophenoxy, 2,4-Dichlorophenoxy with 2,4-Dibromophenoxy, and 2,4,6-Trichlorophenoxy with 2,4,6-Tribromophenoxy

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Xiangli [Environment Research Institute, Shandong University, Jinan 250100 (China); Yu, Wanni [Environment Research Institute, Shandong University, Jinan 250100 (China); College of Resources and Environment, Linyi University, Linyi 276000 (China); Xu, Fei [Environment Research Institute, Shandong University, Jinan 250100 (China); Zhang, Qingzhu, E-mail: zqz@sdu.edu.cn [Environment Research Institute, Shandong University, Jinan 250100 (China); Hu, Jingtian; Wang, Wenxing [Environment Research Institute, Shandong University, Jinan 250100 (China)

    2015-09-15

    Highlights: • We studied the formation of PBCDD/Fs from the reaction of three CPRs with BPRs. • The substitution pattern of halogenated phenols determines those of PBCDD/Fs. • The substitution of halogenated phenols influence the coupling of phenoxy radicals. • The rate constants of the crucial elementary steps were evaluated. - Abstract: Quantum chemical calculations were carried out to investigate the homogeneous gas-phase formation of mixed polybrominated/chlorinated dibenzo-p-dioxins/benzofurans (PBCDD/Fs) from the cross-condensation of 2-chlorophenoxy radical (2-CPR) with 2-bromophenoxy radical (2-BPR), 2,4-dichlorophenoxy radical (2,4-DCPR) with 2,4-dibromophenoxy radical (2,4-DBPR), and 2,4,6-trichlorophenoxy radical (2,4,6-TCPR) with 2,4,6-tribromophenoxy radical (2,4,6-TBPR). The geometrical parameters and vibrational frequencies were calculated at the MPWB1K/6-31+G(d,p) level, and single-point energy calculations were performed at the MPWB1K/6-311+G(3df,2p) level of theory. The rate constants of the crucial elementary reactions were evaluated by the canonical variational transition-state (CVT) theory with the small curvature tunneling (SCT) correction over a wide temperature range of 600–1200 K. Studies show that the substitution pattern of halogenated phenols not only determines the substitution pattern of the resulting PBCDD/Fs, but also has a significant influence on the formation mechanism of PBCDD/Fs, especially on the coupling of the halogenated phenoxy radicals.

  5. Safety and pharmacokinetics of the anti-orthopoxvirus compound ST-246 following a single daily oral dose for 14 days in human volunteers.

    Science.gov (United States)

    Chinsangaram, Jarasvech; Honeychurch, Kady M; Tyavanagimatt, Shanthakumar R; Leeds, Janet M; Bolken, Tove' C; Jones, Kevin F; Jordan, Robert; Marbury, Thomas; Ruckle, Jon; Mee-Lee, Denis; Ross, Eric; Lichtenstein, Israel; Pickens, Margaret; Corrado, Michael; Clarke, Jean M; Frimm, Annie M; Hruby, Dennis E

    2012-09-01

    ST-246 is being evaluated as a treatment for pathogenic orthopoxvirus infections in humans. To this end, a phase 2, double-blind, randomized, placebo-controlled, multicenter trial was conducted to assess the safety, tolerability, and pharmacokinetics (PK) of ST-246 when administered as a single daily oral dose (400 mg or 600 mg) for 14 days in fed adult volunteers. ST-246 was safe and well tolerated, with no deaths or serious adverse events reported during the study. There was a low incidence of treatment-emergent adverse events (TEAEs), the most common of which were mild nausea and headache. There were no clinically significant results from laboratory assessments, vital sign measurements, physical examinations, or electrocardiograms. The PK and dose proportionality of ST-246 were determined. The PK analysis showed that steady state was achieved by day 5 for the ST-246 400-mg treatment group and by day 6 for the 600-mg group. The dose proportionality analysis showed that the 400- and 600-mg ratio of dose-normalized peak drug concentration in plasma (C(max)) and relative exposure for each dosing interval (AUC(τ)) ranged from 80% to 85%. However, the 90% confidence intervals did not include 1.0, so dose proportionality could not be concluded. Overall, ST-246 was shown to be safe, and the PK was predictable. These results support further testing of ST-246 in a multicenter pivotal clinical safety study for licensure application.

  6. The Novel Anticytomegalovirus Compound AIC246 (Letermovir) Inhibits Human Cytomegalovirus Replication through a Specific Antiviral Mechanism That Involves the Viral Terminase ▿

    Science.gov (United States)

    Goldner, Thomas; Hewlett, Guy; Ettischer, Nicole; Ruebsamen-Schaeff, Helga; Zimmermann, Holger; Lischka, Peter

    2011-01-01

    Human cytomegalovirus (HCMV) remains the leading viral cause of birth defects and life-threatening disease in transplant recipients. All approved antiviral drugs target the viral DNA polymerase and are associated with severe toxicity issues and the emergence of drug resistance. Attempts to discover improved anti-HCMV drugs led to the identification of the small-molecular-weight compound AIC246 (Letermovir). AIC246 exhibits outstanding anti-HCMV activity in vitro and in vivo and currently is undergoing a clinical phase IIb trial. The initial mode-of-action studies suggested that the drug acts late in the HCMV replication cycle via a mechanism distinct from that of polymerase inhibitors. Here, we extend our mode-of-action analyses and report that AIC246 blocks viral replication without inhibiting the synthesis of progeny HCMV DNA or viral proteins. The genotyping of mutant viruses that escaped AIC246 inhibition uncovered distinct point mutations in the UL56 subunit of the viral terminase complex. Marker transfer analyses confirmed that these mutations were sufficient to mediate AIC246 resistance. The mapping of drug resistance to open reading frame UL56 suggests that viral DNA processing and/or packaging is targeted by AIC246. In line with this, we demonstrate that AIC246 affects the formation of proper unit-length genomes from viral DNA concatemers and interferes with virion maturation. However, since AIC246-resistant viruses do not exhibit cross-resistance to previously published terminase inhibitors, our data suggest that AIC246 interferes with HCMV DNA cleavage/packaging via a molecular mechanism that is distinct from that of other compound classes known to target the viral terminase. PMID:21752907

  7. The novel anticytomegalovirus compound AIC246 (Letermovir) inhibits human cytomegalovirus replication through a specific antiviral mechanism that involves the viral terminase.

    Science.gov (United States)

    Goldner, Thomas; Hewlett, Guy; Ettischer, Nicole; Ruebsamen-Schaeff, Helga; Zimmermann, Holger; Lischka, Peter

    2011-10-01

    Human cytomegalovirus (HCMV) remains the leading viral cause of birth defects and life-threatening disease in transplant recipients. All approved antiviral drugs target the viral DNA polymerase and are associated with severe toxicity issues and the emergence of drug resistance. Attempts to discover improved anti-HCMV drugs led to the identification of the small-molecular-weight compound AIC246 (Letermovir). AIC246 exhibits outstanding anti-HCMV activity in vitro and in vivo and currently is undergoing a clinical phase IIb trial. The initial mode-of-action studies suggested that the drug acts late in the HCMV replication cycle via a mechanism distinct from that of polymerase inhibitors. Here, we extend our mode-of-action analyses and report that AIC246 blocks viral replication without inhibiting the synthesis of progeny HCMV DNA or viral proteins. The genotyping of mutant viruses that escaped AIC246 inhibition uncovered distinct point mutations in the UL56 subunit of the viral terminase complex. Marker transfer analyses confirmed that these mutations were sufficient to mediate AIC246 resistance. The mapping of drug resistance to open reading frame UL56 suggests that viral DNA processing and/or packaging is targeted by AIC246. In line with this, we demonstrate that AIC246 affects the formation of proper unit-length genomes from viral DNA concatemers and interferes with virion maturation. However, since AIC246-resistant viruses do not exhibit cross-resistance to previously published terminase inhibitors, our data suggest that AIC246 interferes with HCMV DNA cleavage/packaging via a molecular mechanism that is distinct from that of other compound classes known to target the viral terminase.

  8. Synthesis, structure, photoluminescence and magnetic properties of lanthanide-pyridine-2,4,6-tricarboxylate coordination polymers

    Science.gov (United States)

    Jin, Yong-Wei; Zhu, Hong-Lin; Wang, Jian-Fei; Zheng, Yue-Qing

    2012-06-01

    Two new lanthanide-pyridine-2,4,6-tricarboxylate coordination polymers [Pr(H2O)3(ptc)]ṡH2O (1) and [Tb2(H2O)9(ptc)2]·3H2O (2) (H3ptc = pyridine-2,4,6-tricarboxylic acid) have been synthesized and structurally characterized by single crystal X-ray diffraction. The compound (1) crystallize as 2D layer, which are further engaged in hydrogen bonding leading to a novel 3D supramolecular architecture. Complex (2) exists as a centrosymmetric tetranuclear unit, which are assembled into a 3D supramolecular architecture via extensively hydrogen bonding interaction. The luminescence experiments show that Pr(III) and Tb(III) compounds exhibit typical luminescence in the visible region. Besides luminescence, the magnetic properties of (1) and (2) were investigated and indicate the anti-ferromagnetic couplings between the Ln(III) ions.

  9. The statistical model calculation of prompt neutron spectra from spontaneous fission of {sup 244}Cm and {sup 246}Cm

    Energy Technology Data Exchange (ETDEWEB)

    Gerasimenko, B.F. [V.G. Khlopin Radium Inst., Saint Peterburg (Russian Federation)

    1997-03-01

    The calculations of integral spectra of prompt neutrons of spontaneous fission of {sup 244}Cm and {sup 246}Cm were carried out. The calculations were done by the Statistical Computer Code Complex SCOFIN applying the Hauser-Feschbach method as applied to the description of the de-excitation of excited fission fragments by means of neutron emission. The emission of dipole gamma-quanta from these fragments was considered as a competing process. The average excitation energy of a fragment was calculated by two-spheroidal model of tangent fragments. The density of levels in an excited fragment was calculated by the Fermi-gas model. The quite satisfactory agreement was reached between theoretical and experimental results obtained in frames of Project measurements. The calculated values of average multiplicities of neutron number were 2,746 for {sup 244}Cm and 2,927 for {sup 246}Cm that was in a good accordance with published experimental figures. (author)

  10. The Oxidation of 2,4,6-Trinitrotoluene with an Ozone-Oxygen Mixture: A Simple Method for Preparation of 1,3,5-Trinitrobenzene

    Directory of Open Access Journals (Sweden)

    Mohammad Ali Zarei

    2013-01-01

    Full Text Available The oxidation of 2,4,6-trinitrotoluene (TNT to 1,3,5-trinitrobenzene (TNB in one step, 2,4,6-trinitrobenzoic acid (TNBA, and 2,4,6-trinitrobenzaldehyde (TNBAl with an ozone-oxygen mixture in different solvents, catalysts, and temperatures has been investigated. Reducing the number of steps in the oxidation of TNT to TNB is the major advantage of this procedure with respect to conventional processes such as chromic acid and potassium permanganate. The oxidation of TNT to TNB was completed in one step as compared to two steps in the conventional approach. The products were obtained with relatively good yield.

  11. Synthesis, loading control and preliminary tests of 2,4,6-triphenylpyrylium supported onto Y-zeolite as solar photocatalyst

    Energy Technology Data Exchange (ETDEWEB)

    Amat, Ana M.; Arques, Antonio; Vercher, Rosa F. [Departamento de Ingeniera Textil y Papelera, Escuela Politecnica Superior de Alcoy, Universidad Politecnica de Valencia, Paseo Viaducto 1, 03801 Alcoy (Spain); Bossmann, Stefan H.; Braun, Andre M. [Lehrstuhl fuer Umweltmesstechnik, Engler-Bunte-Institut, Universitaet Karlsruhe, 76128 Karlsruhe (Germany); Miranda, Miguel A. [Departamento de Quimica, Instituto de Tecnologia Quiica UPV-CSIC, Universidad Politecnica de Valencia, 46071 Valencia (Spain)

    2005-04-15

    A heterogeneous photocatalyst has been obtained by hosting the 2,4,6-triphenylpyrylium cation inside the supercages of Y-zeolite. Preparation of the new material has been achieved by means of a formal ion exchange in aqueous medium. Nevertheless, the mechanism is more complex, as bulky 2,4,6-triphenylpyrylium cation is unable to diffuse through the channels of Y-zeolite. The following steps are involved: (a) hydrolytic opening of the pyrylium ion to give a linear diketone; (b) diffusion of the diketone through the channels to reach the supercages; and (c) thermal recyclization under dehydrating conditions. Elemental analysis of the new material was consistent with the pyrylium cation located inside the zeolite. No sulfur was found in the loaded zeolite, indicating that hydrogensulfate is no longer the counter-ion of pyrylium. Accordingly, the stoichiometric amount of Na{sup +} was found in the filtered waters recovered after the synthesis. Besides, the IR spectrum of the dry material was coincident with that of 2,4,6-triphenylpyrylium, while the spectrum of a less thoroughly dried sample showed, together with the absorption bands corresponding to pyrylium, other bands assignable to the diketone. Zeolite loading can be controlled in the range of 3-15% of organic carbon. The performance of the new material as a solar photocatalyst for oxidative pollutant degradation was checked using four cinnamic acid derivatives as target compounds. Aqueous solutions (250mL) of these model pollutants (0.001M) were irradiated by solar light in the presence of different amounts of solid photocatalyst. Oxidation was efficiently achieved as analysed by HPLC and followed in all cases a pseudo first order kinetics. The most satisfactory results were obtained using 1g/L of Y-zeolite containing 6% of 2,4,6-triphenylpyrylium cation.

  12. Effective antiviral treatment of systemic orthopoxvirus disease: ST-246 treatment of prairie dogs infected with monkeypox virus.

    Science.gov (United States)

    Smith, Scott K; Self, Josh; Weiss, Sonja; Carroll, Darin; Braden, Zach; Regnery, Russell L; Davidson, Whitni; Jordan, Robert; Hruby, Dennis E; Damon, Inger K

    2011-09-01

    Smallpox preparedness research has led to development of antiviral therapies for treatment of serious orthopoxvirus infections. Monkeypox virus is an emerging, zoonotic orthopoxvirus which can cause severe and transmissible disease in humans, generating concerns for public health. Monkeypox virus infection results in a systemic, febrile-rash illness closely resembling smallpox. Currently, there are no small-molecule antiviral therapeutics approved to treat orthopoxvirus infections of humans. The prairie dog, using monkeypox virus as a challenge virus, has provided a valuable nonhuman animal model in which monkeypox virus infection closely resembles human systemic orthopoxvirus illness. Here, we assess the efficacy of the antiorthopoxvirus compound ST-246 in prairie dogs against a monkeypox virus challenge of 65 times the 50% lethal dose (LD(50)). Animals were infected intranasally and administered ST-246 for 14 days, beginning on days 0, 3, or after rash onset. Swab and blood samples were collected every 2 days and analyzed for presence of viral DNA by real-time PCR and for viable virus by tissue culture. Seventy-five percent of infected animals that received vehicle alone succumbed to infection. One hundred percent of animals that received ST-246 survived challenge, and animals that received treatment before symptom onset remained largely asymptomatic. Viable virus and viral DNA were undetected or at greatly reduced levels in animals that began treatment on 0 or 3 days postinfection, compared to control animals or animals treated post-rash onset. Animals treated after rash onset manifested illness, but all recovered. Our results indicate that ST-246 can be used therapeutically, following onset of rash illness, to treat systemic orthopoxvirus infections.

  13. Effective Antiviral Treatment of Systemic Orthopoxvirus Disease: ST-246 Treatment of Prairie Dogs Infected with Monkeypox Virus▿

    Science.gov (United States)

    Smith, Scott K.; Self, Josh; Weiss, Sonja; Carroll, Darin; Braden, Zach; Regnery, Russell L.; Davidson, Whitni; Jordan, Robert; Hruby, Dennis E.; Damon, Inger K.

    2011-01-01

    Smallpox preparedness research has led to development of antiviral therapies for treatment of serious orthopoxvirus infections. Monkeypox virus is an emerging, zoonotic orthopoxvirus which can cause severe and transmissible disease in humans, generating concerns for public health. Monkeypox virus infection results in a systemic, febrile-rash illness closely resembling smallpox. Currently, there are no small-molecule antiviral therapeutics approved to treat orthopoxvirus infections of humans. The prairie dog, using monkeypox virus as a challenge virus, has provided a valuable nonhuman animal model in which monkeypox virus infection closely resembles human systemic orthopoxvirus illness. Here, we assess the efficacy of the antiorthopoxvirus compound ST-246 in prairie dogs against a monkeypox virus challenge of 65 times the 50% lethal dose (LD50). Animals were infected intranasally and administered ST-246 for 14 days, beginning on days 0, 3, or after rash onset. Swab and blood samples were collected every 2 days and analyzed for presence of viral DNA by real-time PCR and for viable virus by tissue culture. Seventy-five percent of infected animals that received vehicle alone succumbed to infection. One hundred percent of animals that received ST-246 survived challenge, and animals that received treatment before symptom onset remained largely asymptomatic. Viable virus and viral DNA were undetected or at greatly reduced levels in animals that began treatment on 0 or 3 days postinfection, compared to control animals or animals treated post-rash onset. Animals treated after rash onset manifested illness, but all recovered. Our results indicate that ST-246 can be used therapeutically, following onset of rash illness, to treat systemic orthopoxvirus infections. PMID:21697474

  14. (N,N,N′,N′-Tetramethylethylenediamine-κNbis(2,4,6-trimethylphenolato-κOgermanium(II

    Directory of Open Access Journals (Sweden)

    Eduard Rusanov

    2012-03-01

    Full Text Available In the title compound, [Ge(C9H11O2(C6H16N2], the GeII atom is coordinated in a distorted trigonal–pyramidal geometry by two O atoms belonging to two 2,4,6-trimethylphenolate ligands and one N atom of a tetramethylethylenediamine ligand. Comparing the structure with published data of similar compounds shows that the Ge—O bonds are covalent and the Ge—N bond is coordinated.

  15. Development of a cellular biosensor for the detection of 2,4,6-trichloroanisole (TCA).

    Science.gov (United States)

    Varelas, Vassileios; Sanvicens, Nuria; M-Pilar-Marco; Kintzios, Spiridon

    2011-05-15

    2,4,6-trichloroanisole (TCA) is a microbial metabolite formed from chlorophenols through the activity of several natural fungal strains present on the cork oak bark. TCA is the primary compound responsible for the mousty/mould off-odour known as "cork taint" present in cork stoppers, wine, water and alcoholic beverages. Chromatographic and electrochemical methods are currently used for the determination of TCA, however its detection at low concentrations remains a technical challenge. The aim of this study was the development of a rapid novel biosensor system based on the Bioelectric Recognition Assay (BERA). The sensor measured the electric response of cultured membrane-engineered fibroblast cells suspended in an alginate gel matrix due to the change of their membrane potential in the presence of the analyte. Membrane-engineered cells were prepared by osmotic insertion of 0.5 μg/l of specific TCA antibodies into the membrane of the cells. The BERA-based sensor was able to detect TCA in a few minutes (3-5 min) at extremely low concentrations (10(-1)ppt), thus demonstrating higher sensitivity than the human sensory threshold. In addition, the assay was quite selective against other haloanisoles and halophenols structurally related to or co-occurring with TCA. Finally the sensor was tested against real white wine samples from cork soaks. At this real test, the BERA sensor was able to detect TCA from cork soaks rapidly (3-5 min) at very low concentrations (1.02-12 ng/l), covering the whole range for the detection threshold for wines (1.4-10 ng/l). Therefore, this novel biosensor offers new perspectives for ultra-rapid, ultra-sensitive and low-cost monitoring of TCA presence in cork and wine and possibly also other food commodities. Copyright © 2011 Elsevier B.V. All rights reserved.

  16. Enhancement of microbial 2,4,6-trinitrotoluene transformation with increased toxicity by exogenous nutrient amendment.

    Science.gov (United States)

    Liang, Shih-Hsiung; Hsu, Duen-Wei; Lin, Chia-Ying; Kao, Chih-Ming; Huang, Da-Ji; Chien, Chih-Ching; Chen, Ssu-Ching; Tsai, Isheng Jason; Chen, Chien-Cheng

    2017-04-01

    In this study, the bacterial strain Citrobacter youngae strain E4 was isolated from 2,4,6-trinitrotoluene (TNT)-contaminated soil and used to assess the capacity of TNT transformation with/without exogenous nutrient amendments. C. youngae E4 poorly degraded TNT without an exogenous amino nitrogen source, whereas the addition of an amino nitrogen source considerably increased the efficacy of TNT transformation in a dose-dependent manner. The enhanced TNT transformation of C. youngae E4 was mediated by increased cell growth and up-regulation of TNT nitroreductases, including NemA, NfsA and NfsB. This result indicates that the increase in TNT transformation by C. youngae E4 via nitrogen nutrient stimulation is a cometabolism process. Consistently, TNT transformation was effectively enhanced when C. youngae E4 was subjected to a TNT-contaminated soil slurry in the presence of an exogenous amino nitrogen amendment. Thus, effective enhancement of TNT transformation via the coordinated inoculation of the nutrient-responsive C. youngae E4 and an exogenous nitrogen amendment might be applicable for the remediation of TNT-contaminated soil. Although the TNT transformation was significantly enhanced by C. youngae E4 in concert with biostimulation, the 96-h LC50 value of the TNT transformation product mixture on the aquatic invertebrate Tigriopus japonicas was higher than the LC50 value of TNT alone. Our results suggest that exogenous nutrient amendment can enhance microbial TNT transformation; however, additional detoxification processes may be needed due to the increased toxicity after reduced TNT transformation. Copyright © 2016 Elsevier Inc. All rights reserved.

  17. ST-246 is a key antiviral to inhibit the viral F13L phospholipase, one of the essential proteins for orthopoxvirus wrapping.

    Science.gov (United States)

    Duraffour, Sophie; Lorenzo, María M; Zöller, Gudrun; Topalis, Dimitri; Grosenbach, Doug; Hruby, Dennis E; Andrei, Graciela; Blasco, Rafael; Meyer, Hermann; Snoeck, Robert

    2015-05-01

    ST-246 is one of the key antivirals being developed to fight orthopoxvirus (OPV) infections. Its exact mode of action is not completely understood, but it has been reported to interfere with the wrapping of infectious virions, for which F13L (peripheral membrane protein) and B5R (type I glycoprotein) are required. Here we monitored the appearance of ST-246 resistance to identify its molecular target. Vaccinia virus (VACV), cowpox virus (CPXV) and camelpox virus (CMLV) with reduced susceptibility to ST-246 were selected in cell culture and further characterized by antiviral assays and immunofluorescence. A panel of recombinant OPVs was engineered and a putative 3D model of F13L coupled with molecular docking was used to visualize drug-target interaction. The F13L gene of 65 CPXVs was sequenced to investigate F13L amino acid heterogeneity. Amino acid substitutions or insertions were found in the F13L gene of six drug-resistant OPVs and production of four F13L-recombinant viruses confirmed their role(s) in the occurrence of ST-246 resistance. F13L, but not B5R, knockout OPVs showed resistance to ST-246. ST-246 treatment of WT OPVs delocalized F13L- and B5R-encoded proteins and blocked virus wrapping. Putative modelling of F13L and ST-246 revealed a probable pocket into which ST-246 penetrates. None of the identified amino acid changes occurred naturally among newly sequenced or NCBI-derived OPV F13L sequences. Besides demonstrating that F13L is a direct target of ST-246, we also identified novel F13L residues involved in the interaction with ST-246. These findings are important for ST-246 use in the clinic and crucial for future drug-resistance surveillance programmes. © The Author 2015. Published by Oxford University Press on behalf of the British Society for Antimicrobial Chemotherapy. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  18. The Novel Anticytomegalovirus Compound AIC246 (Letermovir) Inhibits Human Cytomegalovirus Replication through a Specific Antiviral Mechanism That Involves the Viral Terminase ▿

    OpenAIRE

    Goldner, Thomas; Hewlett, Guy; Ettischer, Nicole; Ruebsamen-Schaeff, Helga; Zimmermann, Holger; Lischka, Peter

    2011-01-01

    Human cytomegalovirus (HCMV) remains the leading viral cause of birth defects and life-threatening disease in transplant recipients. All approved antiviral drugs target the viral DNA polymerase and are associated with severe toxicity issues and the emergence of drug resistance. Attempts to discover improved anti-HCMV drugs led to the identification of the small-molecular-weight compound AIC246 (Letermovir). AIC246 exhibits outstanding anti-HCMV activity in vitro and in vivo and currently is u...

  19. Biodegradation of 2,4,6-trichlorophenol in a packed-bed biofilm reactor equipped with an internal net draft tube riser for aeration and liquid circulation

    Energy Technology Data Exchange (ETDEWEB)

    Gomez-De Jesus, A.; Romano-Baez, F.J.; Leyva-Amezcua, L.; Juarez-Ramirez, C.; Ruiz-Ordaz, N. [Departamento de Ingenieria Bioquimica, Escuela Nacional de Ciencias Biologicas, IPN. Prol. Carpio y Plan de Ayala, Colonia Santo Tomas, s/n. CP 11340, Mexico, D.F. (Mexico); Galindez-Mayer, J. [Departamento de Ingenieria Bioquimica, Escuela Nacional de Ciencias Biologicas, IPN. Prol. Carpio y Plan de Ayala, Colonia Santo Tomas, s/n. CP 11340, Mexico, D.F. (Mexico)], E-mail: cmayer@encb.ipn.mx

    2009-01-30

    For the aerobic biodegradation of the fungicide and defoliant 2,4,6-trichlorophenol (2,4,6-TCP), a bench-scale packed-bed bioreactor equipped with a net draft tube riser for liquid circulation and oxygenation (PB-ALR) was constructed. To obtain a high packed-bed volume relative to the whole bioreactor volume, a high A{sub D}/A{sub R} ratio was used. Reactor's downcomer was packed with a porous support of volcanic stone fragments. PB-ALR hydrodynamics and oxygen mass transfer behavior was evaluated and compared to the observed behavior of the unpacked reactor operating as an internal airlift reactor (ALR). Overall gas holdup values {epsilon}{sub G}, and zonal oxygen mass transfer coefficients determined at various airflow rates in the PB-ALR, were higher than those obtained with the ALR. When comparing mixing time values obtained in both cases, a slight increment in mixing time was observed when reactor was operated as a PB-ALR. By using a mixed microbial community, the biofilm reactor was used to evaluate the aerobic biodegradation of 2,4,6-TCP. Three bacterial strains identified as Burkholderia sp., Burkholderia kururiensis and Stenotrophomonas sp. constituted the microbial consortium able to cometabolically degrade the 2,4,6-TCP, using phenol as primary substrate. This consortium removed 100% of phenol and near 99% of 2,4,6-TCP. Mineralization and dehalogenation of 2,4,6-TCP was evidenced by high COD removal efficiencies ({approx}95%), and by the stoichiometric release of chloride ions from the halogenated compound ({approx}80%). Finally, it was observed that the microbial consortium was also capable to metabolize 2,4,6-TCP without phenol as primary substrate, with high removal efficiencies (near 100% for 2,4,6-TCP, 92% for COD and 88% for chloride ions)

  20. Efficacy of tecovirimat (ST-246) in nonhuman primates infected with variola virus (Smallpox).

    Science.gov (United States)

    Mucker, Eric M; Goff, Arthur J; Shamblin, Joshua D; Grosenbach, Douglas W; Damon, Inger K; Mehal, Jason M; Holman, Robert C; Carroll, Darin; Gallardo, Nadia; Olson, Victoria A; Clemmons, Cody J; Hudson, Paul; Hruby, Dennis E

    2013-12-01

    Naturally occurring smallpox has been eradicated but remains a considerable threat as a biowarfare/bioterrorist weapon (F. Fleck, Bull. World Health Organ. 81:917-918, 2003). While effective, the smallpox vaccine is currently not recommended for routine use in the general public due to safety concerns (http://www.bt.cdc.gov/agent/smallpox/vaccination). Safe and effective countermeasures, particularly those effective after exposure to smallpox, are needed. Currently, SIGA Technologies is developing the small-molecule oral drug, tecovirimat (previously known as ST-246), as a postexposure therapeutic treatment of orthopoxvirus disease, including smallpox. Tecovirimat has been shown to be efficacious in preventing lethal orthopoxviral disease in numerous animal models (G. Yang, D. C. Pevear, M. H. Davies, M. S. Collett, T. Bailey, et al., J. Virol. 79:13139-13149, 2005; D. C. Quenelle, R. M. Buller, S. Parker, K. A. Keith, D. E. Hruby, et al., Antimicrob. Agents Chemother., 51:689-695, 2007; E. Sbrana, R. Jordan, D. E. Hruby, R. I. Mateo, S. Y. Xiao, et al., Am. J. Trop. Med. Hyg. 76:768-773, 2007). Furthermore, in clinical trials thus far, the drug appears to be safe, with a good pharmacokinetic profile. In this study, the efficacy of tecovirimat was evaluated in both a prelesional and postlesional setting in nonhuman primates challenged intravenously with 1 × 10(8) PFU of Variola virus (VARV; the causative agent of smallpox), a model for smallpox disease in humans. Following challenge, 50% of placebo-treated controls succumbed to infection, while all tecovirimat-treated animals survived regardless of whether treatment was started at 2 or 4 days postinfection. In addition, tecovirimat treatment resulted in dramatic reductions in dermal lesion counts, oropharyngeal virus shedding, and viral DNA circulating in the blood. Although clinical disease was evident in tecovirimat-treated animals, it was generally very mild and appeared to resolve earlier than in placebo

  1. The effects of temperature gradient and growth rate on the morphology and fatigue properties of MAR-M246(Hf)

    Science.gov (United States)

    Schmidt, D. D.; Alter, W. S.; Hamilton, W. D.; Parr, R. A.

    1989-01-01

    MAR-M246(Hf) is a nickel based superalloy used in the turbopump blades of the Space Shuttle main engines. The effects are considered of temperature gradient (G) and growth rate (R) on the microstructure and fatigue properties of this superalloy. The primary dendrite arm spacings were found to be inversely proportional to both temperature gradient and growth rate. Carbide and gamma - gamma prime morphology trends were related to G/R ratios. Weibull analysis of fatigue results shows the characteristic life to be larger by a factor of 10 for the low gradient/fast rate pairing of G and R, while the reliability (beta) was lower.

  2. High-spin intermediates of the photolysis of 2,4,6-triazido-3-chloro-5-fluoropyridine

    Directory of Open Access Journals (Sweden)

    Sergei V. Chapyshev

    2013-04-01

    Full Text Available In contrast to theoretical expectations, the photolysis of 2,4,6-triazido-3-chloro-5-fluoropyridine in argon at 5 K gives rise to EPR peaks of just two triplet mononitrenes, two quintet dinitrenes, and a septet trinitrene. EPR spectral simulations in combination with DFT calculations show that observable nitrenes can be assigned to triplet 2,4-diazido-3-chloro-5-fluoropyridyl-6-nitrene (DT = 1.026 cm−1, ET = 0, triplet 2,6-diazido-3-chloro-5-fluoropyridyl-4-nitrene (DT = 1.122 cm−1, ET = 0.0018 cm−1, quintet 4-azido-3-chloro-5-fluoropyridyl-2,6-dinitrene (DQ = 0.215 cm−1, EQ = 0.0545 cm−1, quintet 2-azido-3-chloro-5-fluoropyridyl-4,6-dinitrene (DQ = 0.209 cm−1, EQ = 0.039 cm−1 and septet 3-chloro-5-fluoropyridyl-2,4,6-trinitrene (DS = −0.1021 cm−1, ES = −0.0034 cm−1. Preferential photodissociation of the azido groups located in ortho-positions to the fluorine atom of pyridines is associated with strong π-conjugation of these groups with the pyridine ring. On photoexcitation, such azido groups are more efficiently involved in reorganization of the molecular electronic system and more easily adopt geometries of the locally excited predissociation states.

  3. Chlorella vulgaris cultivation in sludge extracts from 2,4,6-TCP wastewater treatment for toxicity removal and utilization.

    Science.gov (United States)

    Wang, Lu; Chen, Xiurong; Wang, Hualin; Zhang, Yuying; Tang, Qingjie; Li, Jiahui

    2017-02-01

    Chlorella vulgaris was cultivated in different proportions of activated sludge extracts, which was from the treatment of the synthetic wastewater containing 2,4,6-trichlorophenol (2,4,6-TCP). The nutrients, total nitrogen (TN) and total phosphorus (TP), were removed over 45% and 90%, respectively. The maximum reduction amount of ecotoxicity and total organic carbon (TOC) occurred in the 100% sludge group on the 8th day (68%; 86.2 mg L-1). The variations of Excitation-emission matrix spectra (EEMs) and TOC indicated that extracellular organic matters (EOM) produced by algae led to TOC increase in the medium. The cell density was close to each other for groups with sludge extract proportion below 50%; sludge extracts (below 75% addition) had a stimulating effect on the accumulation of chlorophyll-a in per unit algal cell. Superoxide dismutase (SOD) variation demonstrated that C. vulgaris response positively to sludge extracts addition. Lipid content in C. vulgaris was up to its maximum value on the 8th day. Considering the performance on nutrients removal, toxicity reduction and algal growth, the optimal cultivation period for C. vulgaris before harvesting was around 8 days with sludge extracts proportion below 50%. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Adsorptive removal of 2,4,6-trichlorophenol in aqueous solution using calcined kaolinite-biomass composites.

    Science.gov (United States)

    Olu-Owolabi, Bamidele I; Alabi, Alimoh H; Diagboya, Paul N; Unuabonah, Emmanuel I; Düring, Rolf-Alexander

    2017-05-01

    Synergistically combined low-cost composites may be effective for the potential treatment of effluents containing organic pollutants. Hence, preparation of Carica-papaya-modified-kaolinite (CPK) and pine-cone-modified-kaolinite (PCK) composites via calcination of pure kaolinite (KAC), Carica-papaya and pine-cone seeds is demonstrated. The composites' specific surface areas were reduced by more than 57% but no structural modification in KAC lattice d-spacing, indicating impregnation of calcined biomass on clay surfaces and pores. However, composites' cation exchange capacities were enhanced over 4-fold, indicating higher potential for adsorption. Adsorption of 2,4,6-trichlorophenol on composites and KAC showed that CPK and PCK attained equilibrium relatively faster (30 min) compared to KAC (60 min). Modeling studies showed that 2,4,6-trichlorophenol removal mechanisms involved electrostatic interactions on sites of similar energy. Modification enhanced adsorption by 52 and 250% in PCK and CPK, respectively, and adsorption increased with temperature. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. 234 nm and 246 nm AlN-Delta-GaN quantum well deep ultraviolet light-emitting diodes

    Science.gov (United States)

    Liu, Cheng; Ooi, Yu Kee; Islam, S. M.; Xing, Huili Grace; Jena, Debdeep; Zhang, Jing

    2018-01-01

    Deep ultraviolet (DUV) AlN-delta-GaN quantum well (QW) light-emitting diodes (LEDs) with emission wavelengths of 234 nm and 246 nm are proposed and demonstrated in this work. Our results reveal that the use of AlN-delta-GaN QW with ˜1-3 monolayer GaN delta-layer can achieve a large transverse electric (TE)-polarized spontaneous emission rate instead of transverse magnetic-polarized emission, contrary to what is observed in conventional AlGaN QW in the 230-250 nm wavelength regime. The switching of light polarization in the proposed AlN-delta-GaN QW active region is attributed to the rearrangement of the valence subbands near the Γ-point. The light radiation patterns obtained from angle-dependent electroluminescence measurements for the Molecular Beam Epitaxy (MBE)-grown 234 nm and 246 nm AlN-delta-GaN QW LEDs show that the photons are mainly emitted towards the surface rather than the edge, consistent with the simulated patterns achieved by the finite-difference time-domain modeling. The results demonstrate that the proposed AlN-delta-GaN QWs would potentially lead to high-efficiency TE-polarized surface-emitting DUV LEDs.

  6. Synthesis of bis(3-{[2-(allyloxyethoxy]methyl}-2,4,6-trimethylbenzoyl(phenylphosphine oxide – a tailor-made photoinitiator for dental adhesives

    Directory of Open Access Journals (Sweden)

    Norbert Moszner

    2010-03-01

    Full Text Available Because of the poor solubility of the commercially available bisacylphosphine oxides in dental acidic aqueous primer formulations, bis(3-{[2-(allyloxyethoxy]methyl}-2,4,6-trimethylbenzoyl(phenylphosphine oxide (WBAPO was synthesized starting from 3-(chloromethyl-2,4,6-trimethylbenzoic acid by the dichlorophosphine route. The substituent was introduced by etherification with 2-(allyloxyethanol. In the second step, 3-{[2-(allyloxyethoxy]methyl}-2,4,6-trimethylbenzoic acid was chlorinated. The formed acid chloride showed an unexpected low thermal stability. Its thermal rearrangement at 180 °C resulted in a fast formation of 3-(chloromethyl-2,4,6-trimethylbenzoic acid 2-(allyloxyethyl ester. In the third step, the acid chloride was reacted with phenylphosphine dilithium with the formation of bis(3-{[2-(allyloxyethoxy]methyl}-2,4,6-trimethylbenzoyl(phenylphosphine, which was oxidized to WBAPO. The structure of WBAPO was confirmed by 1H NMR, 13C NMR, 31P NMR, and IR spectroscopy, as well as elemental analysis. WBAPO, a yellow liquid, possesses improved solubility in polar solvents and shows UV–vis absorption, and a high photoreactivity comparable with the commercially available bisacylphosphine oxides. A sufficient storage stability was found in dental acidic aqueous primer formulations.

  7. Sensitive determination of 2,4,6-trichloroanisole in water samples by ultrasound assisted emulsification microextraction prior to gas chromatography-tandem mass spectrometry analysis.

    Science.gov (United States)

    Fontana, Ariel R; Altamirano, Jorgelina C

    2010-06-15

    A novel application of an ultrasound assisted emulsification microextraction (USAEME) technique is proposed for the extraction and preconcentration of 2,4,6-trichloroanisole (2,4,6-TCA) from water samples prior to its determination by gas chromatography-tandem mass spectrometry (GC-MS/MS). USAEME employs a non-polar high-density solvent (extractant solvent), which forms an oil-in-water emulsion (O/W) in the aqueous sample bulk assisted by ultrasonic radiation. Several factors including, solvent type and volume, extraction time, extraction temperature, shaking mode and matrix modifiers were studied and optimized over the relative recovery of the target analyte. An aliquot of 5mL water sample was conditioned by adding 150microL 6.15molL(-1) sodium chloride and 300microL 0.05molL(-1) phosphate buffer (pH 6), and finally extracted with 40microL chloroform by using USAEME technique. Under the optimal experimental conditions 2,4,6-TCA was quantitatively extracted achieving an enrichment factor (EF) of 555. The detection limit (LOD), calculated as three times the signal-to-noise ratio (S/N), was 0.2ngL(-1) and the RSD was 6.3% (n=5) when 1ngL(-1) 2,4,6-TCA standard mixture was analyzed. The coefficients of estimation of the calibration curves obtained following the proposed methodology was >or=0.997 and the linear working range was 1-5000ngL(-1). Finally, the proposed technique was successfully applied for extraction and determination of the 2,4,6-TCA in water samples. Recovery studies lead values >or=94%, which showed a successfully robustness of the analytical methodology for determination of nanogram per liter of 2,4,6-TCA in water samples.

  8. Application of a Homogenous Assay for the Detection of 2,4,6-Trinitrotoluene to Environmental Water Samples

    Directory of Open Access Journals (Sweden)

    Ellen R. Goldman

    2005-01-01

    Full Text Available A homogeneous assay was used to detect 2,4,6-trinitrotoluene (TNT spiked into environmental water samples. This assay is based on changes in fluorescence emission intensity when TNT competitively displaces a fluorescently labeled, TNT analog bound to an anti-TNT antibody. The effectiveness of the assay was highly dependent on the source of the sample being tested. As no correlation between pH and assay performance was observed, ionic strength was assumed to be the reason for variation in assay results. Addition of 10x phosphate-buffered saline to samples to increase their ionic strength to that of our standard laboratory buffer (about 0.17 M significantly improved the range over which the assay functioned in several river water samples.

  9. N-(2-{[5-Bromo-2-(piperidin-1-ylpyrimidin-4-yl]sulfanyl}-4-methoxyphenyl-2,4,6-trimethylbenzenesulfonamide

    Directory of Open Access Journals (Sweden)

    Mohan Kumar

    2012-09-01

    Full Text Available In the title compound, C25H29BrN4O3S2, the benzene rings bridged by the sulfonamide group are tilted relative to each other by 63.9 (1° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 64.9 (1°. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction between the pyrimidine and the 2,4,6-trimethylbenzene rings [centroid–centroid distance = 3.766 (2 Å]. The piperidine ring adopts a chair conformation. In the crystal, molecules are linked into inversion dimers by pairs of N—H...O hydrogen bonds and these dimers are further linked by C—H...O hydrogen bonds into chains propagating along [010].

  10. Three-phase packed bed reactor with an evaporating solvent—I. Experimental: the hydrogenation of 2,4,6-trinitrotoluene in methanol

    NARCIS (Netherlands)

    van Gelder, K.B.; Damhof, J.K.; Kroijenga, P.J.; Westerterp, K.R.

    1990-01-01

    In this paper we present experimental data on the three-phase hydrogenation of 2,4,6-trinitrotoluene (TNT) to triaminotoluene. The experiments are performed in a cocurrent upflow packed bed reactor. Methanol is used as an evaporating solvent. The influence of the main operating parameters, the

  11. Protective effects of Aegle marmelos fruit pulp on 2,4,6-trinitrobenzene sulfonic acid-induced experimental colitis.

    Science.gov (United States)

    Ghatule, Rohit R; Gautam, Manish K; Goel, Shalini; Singh, Amit; Joshi, Vinod K; Goel, Raj K

    2014-01-01

    Aegle marmelos (AM) fruit has been advocated in indigenous system of medicine for the treatment of various gastrointestinal disorders, fever, asthma, inflammations, febrile delirium, acute bronchitis, snakebite, epilepsy, leprosy, myalgia, smallpox, leucoderma, mental illnesses, sores, swelling, thirst, thyroid disorders, tumours and upper respiratory tract infections. The objective of this study was to study the curative effect of 50% ethanol extract of dried fruit pulp of AM (AME) against 2,4,6-trinitrobenzene sulfonic acid (TNBS)-induced experimental colitis. AME (200 mg/kg) was administered orally, once daily for 14 days after TNBS-induced colitis. Rats were given intracolonic normal saline or TNBS alone or TNBS plus oral AME. AME was studied for its in vitro antibacterial activity against Gram-negative intestinal bacteria and on TNBS-induced changes in colonic damage, weight and adhesions (macroscopic and microscopic), diarrhea, body weight and colonic levels of free radicals (nitric oxide and lipid peroxidation), antioxidants (superoxide dismutase, catalase and reduced glutathione) and pro-inflammatory marker (myeloperoxidase [MPO]) in rats. AME showed antibacterial activity against intestinal pathogens and decreased colonic mucosal damage and inflammation, diarrhea, colonic free radicals and MPO and enhanced body weight and colonic antioxidants level affected by TNBS. The effects of AME on the above parameters were comparable with sulfasalazine, a known colitis protective drug (100 mg/kg, oral). AME shows curative effects against TNBS-induced colitis by its antibacterial activity and promoting colonic antioxidants and reducing free radicals and MPO-induced colonic damage.

  12. Quantitative SERS detection of low-concentration aromatic polychlorinated biphenyl-77 and 2,4,6-trinitrotoluene.

    Science.gov (United States)

    Bao, Zhi Yong; Liu, Xin; Chen, Y; Wu, Yucheng; Chan, Helen L W; Dai, Jiyan; Lei, Dang Yuan

    2014-09-15

    This paper reports a simple label-free high-sensitive method for detecting low-concentration persistent organic pollutants and explosive materials. The proposed method combines surface-enhanced Raman spectroscopy (SERS) and magnetomotive enrichment of the target molecules on the surface of Ag nanoparticles (NPs). This structure can be achieved through self-assembling integration of Ag NPs with ferromagnetic Fe3O4 microspheres, forming a hybrid SERS nanoprobe with both optical and magnetic properties. Moreover, the magnetic response of ferromagnetic Fe3O4 microspheres can be used to dynamically modulate the optical property of Ag NPs through controlling their geometric arrangement on the substrate by applying an external magnetic field. It is also demonstrated from the full-wave numerical simulation results that the maximum electromagnetic field enhancement can be greatly increased by shortening the distance of neighboring Ag NPs and therefore resulting in an improved SERS detecting limit. More importantly, by using the prepared substrate, the SERS signals from organic pollution substances, i.e. aromatic polychlorinated biphenyl-77 and 2,4,6-trinitrotoluene, were quantitatively analyzed. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. The renaissance of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) coordination chemistry.

    Science.gov (United States)

    Safin, Damir A; Frost, Jamie M; Murugesu, Muralee

    2015-12-21

    In this perspective we report on recently accumulated data on the synthesis and coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Although a highly attractive ligand, owing to the presence of three fused terpyridine-like coordination pockets, the coordination chemistry of TPymT has something of a chequered past. This can principally be attributed to the hydrolysis of the ligand, which readily occurs under mild conditions. Thus, after first being synthesised in 1959 it had only been used a handful of times to synthesise coordination compounds until we began reinvestigating its chemistry in early 2013. Despite the significant challenges associated with its use, our work over the past two years has demonstrated that coordination chemistry with TPymT is indeed possible. Herein, we describe an overview of this body of work as it stands, and discuss its potential impact in a variety of areas including porous materials, catalysis and crystal engineering.

  14. Extraction-less, rapid assay for the direct detection of 2,4,6-trichloroanisole (TCA) in cork samples.

    Science.gov (United States)

    Apostolou, Theofylaktos; Pascual, Nuria; Marco, M-Pilar; Moschos, Anastassios; Petropoulos, Anastassios; Kaltsas, Grigoris; Kintzios, Spyridon

    2014-07-01

    2,4,6-trichloroanisole (TCA), the cork taint molecule, has been the target of several analytical approaches over the few past years. In spite of the development of highly efficient and sensitive tools for its detection, ranging from advanced chromatography to biosensor-based techniques, a practical breakthrough for routine cork screening purposes has not yet been realized, in part due to the requirement of a lengthy extraction of TCA in organic solvents, mostly 12% ethanol and the high detectability required. In the present report, we present a modification of a previously reported biosensor system based on the measurement of the electric response of cultured fibroblast cells membrane-engineered with the pAb78 TCA-specific antibody. Samples were prepared by macerating cork tissue and mixing it directly with the cellular biorecognition elements, without any intervening extraction process. By using this novel approach, we were able to detect TCA in just five minutes at extremely low concentrations (down to 0.2 ppt). The novel biosensor offers a number of practical benefits, including a very considerable reduction in the total assay time by one day, and a full portability, enabling its direct employment for on-site, high throughput screening of cork in the field and production facilities, without requiring any type of supporting infrastructure. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. 3D Visualization of Developmental Toxicity of 2,4,6-Trinitrotoluene in Zebrafish Embryogenesis Using Light-Sheet Microscopy

    Directory of Open Access Journals (Sweden)

    Juneyong Eum

    2016-11-01

    Full Text Available Environmental contamination by trinitrotoluene is of global concern due to its widespread use in military ordnance and commercial explosives. Despite known long-term persistence in groundwater and soil, the toxicological profile of trinitrotoluene and other explosive wastes have not been systematically measured using in vivo biological assays. Zebrafish embryos are ideal model vertebrates for high-throughput toxicity screening and live in vivo imaging due to their small size and transparency during embryogenesis. Here, we used Single Plane Illumination Microscopy (SPIM/light sheet microscopy to assess the developmental toxicity of explosive-contaminated water in zebrafish embryos and report 2,4,6-trinitrotoluene-associated developmental abnormalities, including defects in heart formation and circulation, in 3D. Levels of apoptotic cell death were higher in the actively developing tissues of trinitrotoluene-treated embryos than controls. Live 3D imaging of heart tube development at cellular resolution by light-sheet microscopy revealed trinitrotoluene-associated cardiac toxicity, including hypoplastic heart chamber formation and cardiac looping defects, while the real time PCR (polymerase chain reaction quantitatively measured the molecular changes in the heart and blood development supporting the developmental defects at the molecular level. Identification of cellular toxicity in zebrafish using the state-of-the-art 3D imaging system could form the basis of a sensitive biosensor for environmental contaminants and be further valued by combining it with molecular analysis.

  16. Synthesis and Docking Studies of 2,4,6-Trihydroxy-3-Geranylacetophenone Analogs as Potential Lipoxygenase Inhibitor

    Directory of Open Access Journals (Sweden)

    Chean Hui Ng

    2014-08-01

    Full Text Available The natural product molecule 2,4,6-trihydroxy-3-geranyl-acetophenone (tHGA isolated from the medicinal plant Melicope ptelefolia was shown to exhibit potent lipoxygenase (LOX inhibitory activity. It is known that LOX plays an important role in inflammatory response as it catalyzes the oxidation of unsaturated fatty acids, such as linoleic acid to form hydroperoxides. The search for selective LOX inhibitors may provide new therapeutic approach for inflammatory diseases. Herein, we report the synthesis of tHGA analogs using simple Friedel-Craft acylation and alkylation reactions with the aim of obtaining a better insight into the structure-activity relationships of the compounds. All the synthesized analogs showed potent soybean 15-LOX inhibitory activity in a dose-dependent manner (IC50 = 10.31–27.61 μM where compound 3e was two-fold more active than tHGA. Molecular docking was then applied to reveal the important binding interactions of compound 3e in soybean 15-LOX binding site. The findings suggest that the presence of longer acyl bearing aliphatic chain (5Cs and aromatic groups could significantly affect the enzymatic activity.

  17. 3D Visualization of Developmental Toxicity of 2,4,6-Trinitrotoluene in Zebrafish Embryogenesis Using Light-Sheet Microscopy.

    Science.gov (United States)

    Eum, Juneyong; Kwak, Jina; Kim, Hee Joung; Ki, Seoyoung; Lee, Kooyeon; Raslan, Ahmed A; Park, Ok Kyu; Chowdhury, Md Ashraf Uddin; Her, Song; Kee, Yun; Kwon, Seung-Hae; Hwang, Byung Joon

    2016-11-17

    Environmental contamination by trinitrotoluene is of global concern due to its widespread use in military ordnance and commercial explosives. Despite known long-term persistence in groundwater and soil, the toxicological profile of trinitrotoluene and other explosive wastes have not been systematically measured using in vivo biological assays. Zebrafish embryos are ideal model vertebrates for high-throughput toxicity screening and live in vivo imaging due to their small size and transparency during embryogenesis. Here, we used Single Plane Illumination Microscopy (SPIM)/light sheet microscopy to assess the developmental toxicity of explosive-contaminated water in zebrafish embryos and report 2,4,6-trinitrotoluene-associated developmental abnormalities, including defects in heart formation and circulation, in 3D. Levels of apoptotic cell death were higher in the actively developing tissues of trinitrotoluene-treated embryos than controls. Live 3D imaging of heart tube development at cellular resolution by light-sheet microscopy revealed trinitrotoluene-associated cardiac toxicity, including hypoplastic heart chamber formation and cardiac looping defects, while the real time PCR (polymerase chain reaction) quantitatively measured the molecular changes in the heart and blood development supporting the developmental defects at the molecular level. Identification of cellular toxicity in zebrafish using the state-of-the-art 3D imaging system could form the basis of a sensitive biosensor for environmental contaminants and be further valued by combining it with molecular analysis.

  18. A Facile Approach to Preparing Molecularly Imprinted Chitosan for Detecting 2,4,6-Tribromophenol with a Widely Linear Range

    Directory of Open Access Journals (Sweden)

    Limei Huang

    2017-04-01

    Full Text Available The environmental pollution of 2,4,6-tribromophenol (TBP has attracted attention. Based on an urgent need for the better provision of clean water, in situ determination of TBP is of great importance. Here, a facile and effective approach for detecting TBP is developed, based on coupling molecular imprinting technique with electrodeposition of chitosan (CS on the gold electrode. The TBP imprinting CS film was fabricated by using CS as functional material and TBP as template molecule. The experiments show that the morphologies and electrochemical properties of the imprinted film sensor was different from non-imprinted film electrode. The current of the imprinted film was linearly proportional to the TBP concentration, with a wide linear range of 1.0 × 10−7 mol•L−1 to 1.0 × 10−3 mol•L−1. By selecting drop-coating method as a reference for controlled trials with the same functional material, the results illustrated that the electrodeposition enjoyed a widely linear range advantage.

  19. Electrical burn injuries of 246 patients treated at the University Clinical Center of Kosovo during the period 2005-2010.

    Science.gov (United States)

    Duci, S B; Arifi, H M; Ahmeti, H R; Selmani, M E; Buja, Z A; Gashi, M M; Zatriqi, V K; Mekaj, A Y

    2014-12-01

    In the developing world, the incidence of electrical injuries has increased in the past few years. Electrical injuries represent approximately 5 % of all burn admissions to burn units in the United States. The objective of this study is to understand the causes of electrical burns in our population, sex, age, duration of treatment, distribution of electrical burns by season, accompanying other traumatic injuries with electrical burns, entry lesions of high-voltage electrocution, location of injuries, the methods of treatment, duration of treatment, and mortality. This is a retrospective study that included 246 patients with electrical burns treated in the 2005-2010 period at the Department of Plastic and Reconstructive Surgery in Kosovo. The data were collected and analyzed from the archives and protocols of the University Clinical Center of Kosovo. Data processing was done with the statistical package InStat 3. From the statistical parameters the structural index, arithmetic median, and standard deviation were calculated. Data testing was done with the χ(2) test and the differences were considered significant if p < 0.05. The high mortality, 9.1 %, and 7 patients (10.6 %) transferred out of our country for treatment is a reflection of the lack of a burn center in our department.

  20. Adsorption mechanism and property of a novel adsorption material PAM/SiO2 towards 2,4,6-trinitrotoluene.

    Science.gov (United States)

    An, Fuqiang; Feng, Xiaoqin; Gao, Baojiao

    2009-08-30

    2,4,6-Trinitrotoluene (TNT) is toxic and mutagenic to many living organisms, so more and more rigorous limits on the letting amount of TNT have been established. In this paper, functional monomer acrylamide (AM) was grafted step by step on the surface of silica gel particles, and the grafted particle PAM/SiO(2) with strong adsorption ability for TNT was formed. The adsorption mechanism and properties of PAM/SiO(2) for TNT were researched through static and dynamic methods. The experimental results showed that PAM/SiO(2) possesses strong adsorption ability for TNT with interaction of three kinds of hydrogen bonds including peculiar NHcdots, three dots, centeredpi hydrogen bond (aromatic hydrogen bond) and CHcdots, three dots, centeredOC pi hydrogen bond. The saturated adsorption amount could reach to 0.873 mg g(-1). The empirical Freundlich isotherm was found to describe well the equilibrium adsorption data. In addition, the pH and temperature were found to have great influence on the adsorption amount. Mixture solution of HCl and ethanol is used as eluent, and the adsorbed TNT is eluted easily from PAM/SiO(2). Finally, PAM/SiO(2) was found to have excellent reusability.

  1. Biodegradation of 2,4,6-TCA by the white-rot fungus Phlebia radiata is initiated by a phase I (O-demethylation)-phase II (O-conjugation) reactions system: implications for the chlorine cycle.

    Science.gov (United States)

    Campoy, Sonia; Alvarez-Rodríguez, María Luisa; Recio, Eliseo; Rumbero, Angel; Coque, Juan-José R

    2009-01-01

    Thirteen species of white-rot fungi tested have been shown to efficiently biodegrade 1 mM 2,4,6-trichloroanisole (2,4,6-TCA) in liquid cultures. The maximum biodegradation rate (94.5% in 10-day incubations) was exhibited by a Phlebia radiata strain. The enzymes of the ligninolytic complex, laccase, lignin peroxidase (LiP), manganese peroxidase (MnP) and versatile peroxidase (VP) were not able to transform 2,4,6-TCA in in vitro reactions, indicating that the ligninolytic complex was not involved in the initial attack to 2,4,6-TCA. Instead, the first biodegradative steps were carried out by a phase I and phase II reactions system. Phase I reaction consisted on a O-demethylation catalysed by a microsomal cytochrome P-450 monooxygenase to produce 2,4,6-trichlorophenol (2,4,6-TCP). Later, in a phase II reaction catalysed by a microsomal UDP-glucosyltransferase, 2,4,6-TCP was detoxified by O-conjugation with D-glucose to produce 2,4,6-TCP-1-O-d-glucoside (TCPG). This compound accumulated in culture supernatants, reaching its maximum concentration between 48 and 72 h of growth. TCPG levels decreased constantly by the end of fermentation, indicating that it was subsequently metabolized. A catalase activity was able to break in vitro the glycosidic link to produce 2,4,6-TCP, whereas ligninolytic enzymes did not have a significant effect on the biotransformation of that compound. Once formed, 2,4,6-TCP was further degraded as detected by a concomitant release of 2.6 mol of chloride ions by 1 mol of initial 2,4,6-TCA, indicating that this compound underwent almost a complete dehalogenation and biodegradation. It was concluded that P. radiata combines two different degradative mechanisms in order to biodegrade 2,4,6-TCA. The significance of the capability of white-rot fungi to O-demethylate chloroanisoles for the global chlorine cycle is discussed.

  2. 40 CFR 721.5356 - Ethanol, 2,2′2″-nitrilotris-, compound with alpha-2,4,6-tris (1-phenylethyl)phenyl]-omega...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Ethanol, 2,2â²2â³-nitrilotris... Substances § 721.5356 Ethanol, 2,2′2″-nitrilotris-, compound with alpha-2,4,6-tris (1-phenylethyl)phenyl... subject to reporting. (1) The chemical substance identified as ethanol, 2,2′2″-nitrilotris-, compound with...

  3. Development of an analytical method to quantify PBDEs, OH-BDEs, HBCDs, 2,4,6-TBP, EH-TBB, and BEH-TEBP in human serum.

    Science.gov (United States)

    Butt, Craig M; Miranda, Marie Lynn; Stapleton, Heather M

    2016-04-01

    Polybrominated diphenyl ethers (PBDEs) flame retardants (FRs) were phased-out in the mid-2000s (penta- and octaBDE) and 2013 (decaBDE); however, their hydroxylated metabolites (OH-BDEs) are still commonly detected in human serum. Today, novel FRs such as Firemaster® 550, a mixture that contains two brominated compounds, EH-TBB and BEH-TEBP are used as replacements for PBDEs in some applications, and there is a need to develop a comprehensive analytical method to assess exposure to both legacy PBDEs and novel FRs. This study developed a solid-phase extraction (SPE)-based method to analyze PBDEs, OH-BDEs, 2,4,6-tribromophenol (TBP), hexabromocylcododecane isomers (HBCDs), EH-TBB, and BEH-TEBP in human serum. Briefly, serum proteins were first denatured with formic acid, and then the target analytes were isolated using a SPE column. Finally, the extract was cleaned and fractioned using a silica SPE column. Method performance was assessed by spiking fetal bovine serum with 1-2 ng of the target analytes, and method accuracy was quantified by comparison to a serum Standard Reference Material (SRM). The developed method showed good recovery and accuracy for all target analytes with the exception of the very low and very high molecular weight PBDE congeners. Using this method, 43 serum samples collected from the Healthy Pregnancy, Healthy Baby Study (HPHB) cohort in Durham, NC, USA were analyzed for FRs. A novel finding was the ubiquitous detection of 2,4,6-TBP, at levels greater than the individual PBDE congeners. Furthermore, 2,4,6-TBP was positively correlated with PBDEs, suggesting that they may have a similar source of exposure, or that 2,4,6-TBP may result from metabolism of PBDEs in vivo.

  4. 2,4,6-Trichloro-1,3,5-triazine (TCT) mediated one pot direct synthesis of N-benzoylthioureas from carboxylic acids

    OpenAIRE

    Somnath Gholap; Navanath Gunjal

    2017-01-01

    An efficient 2,4,6-trichloro-1,3,5-triazine (TCT) mediated synthesis of N-benzoylthiourea derivatives from carboxylic acid has been described. The reaction of TCT (1), triethyl amine in dichloromethane gives tris-quaternary ammonium salt (A), reacted with carboxylic acid to form activated ester as an intermediate (B). Aroylthiocyanate was formed by the reaction of activated ester ‘B’ and ammonium isothiocyanate followed by aliphatic or aromatic amines affording structurally diverse N-benzoylt...

  5. Application of Novel Amino-Functionalized NZVI@SiO2 Nanoparticles to Enhance Anaerobic Granular Sludge Removal of 2,4,6-Trichlorophenol.

    Science.gov (United States)

    Guan, Zeyu; Wan, Jinquan; Ma, Yongwen; Wang, Yan; Shu, Yajie

    2015-01-01

    A novel amino-functionalized silica-coated nanoscale zerovalent iron (NZVI@SiO2-NH2) was successfully synthesized by using one-step liquid-phase method with the surface functionalization of nanoscale zerovalent iron (NZVI) to enhance degradation of chlorinated organic contaminants from anaerobic microbial system. NZVI@SiO2-NH2 nanoparticles were synthesized under optimal conditions with the uniform core-shell structure (80-100 nm), high loading of amino functionality (~0.9 wt%), and relatively large specific surface area (126.3 m(2)/g). The result demonstrated that well-dispersed NZVI@SiO2-NH2 nanoparticle with nFe(0)-core and amino-functional silicon shell can effectively remove 2,4,6-trichlorophenol (2,4,6-TCP) in the neutral condition, much higher than that of NZVI. Besides, the surface-modified nanoparticles (NZVI@SiO2-NH2) in anaerobic granule sludge system also showed a positive effect to promote anaerobic biodechlorination system. More than 94.6% of 2,4,6-TCP was removed from the combined NZVI@SiO2-NH2-anaerobic granular sludge system during the anaerobic dechlorination processes. Moreover, adding the appropriate concentration of NZVI@SiO2-NH2 in anaerobic granular sludge treatment system can decrease the toxicity of 2,4,6-TCP to anaerobic microorganisms and improved the cumulative amount of methane production and electron transport system activity. The results from this study clearly demonstrated that the NZVI@SiO2-NH2/anaerobic granular sludge system could become an effective and promising technology for the removal of chlorophenols in industrial wastewater.

  6. Dichlorido{(E-2,4,6-trimethyl-N-[phenyl(2-pyridylmethylidene]aniline-κ2N,N′}palladium(II

    Directory of Open Access Journals (Sweden)

    Cheng-Hsien Yang

    2010-06-01

    Full Text Available The title complex, [PdCl2(C21H20N2], contains a PdII atom in a slightly distorted square-planar coordination environment defined by two N atoms from one 2,4,6-trimethyl-N-[phenyl(2-pyridylmethylidene]aniline ligand and two Cl atoms, forming a five-membered ring (N—Pd—N—C—C.

  7. 1,1´,1´´-(2,4,6-Trihydroxybenzene-1,3,5-triyl)triethanone tautomerism revisited

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Kamounah, Fadhil S.; Zhiryakova, Diana

    2014-01-01

    It has recently been suggested that 1,1′,1′′-(2,4,6-trihydroxybenzene-1,3,5-triyl)triethanone may be tautomeric. Using 13C NMR chemical shifts and deuterium isotope effects on 13C chemical shifts, it is demonstrated that this is not the case. This compound occurs as a strongly hydrogen bonded ben....... In addition, conventional UV–vis spectroscopy data suggest not tautomeric, but aggregation behaviour of the molecule in methanol and acetonitrile....

  8. Regional brain metabolism with cytochrome c oxidase histochemistry in a PS1/A246E mouse model of autosomal dominant Alzheimer's disease: correlations with behavior and oxidative stress.

    Science.gov (United States)

    Strazielle, Catherine; Jazi, Rozat; Verdier, Yann; Qian, Sue; Lalonde, Robert

    2009-12-01

    Mitochondrial dysfunction and brain metabolic alteration are early neurofunctional aspects in Alzheimer's disease (AD). Regional brain metabolism was analyzed by cytochrome c oxidase (COX) histochemistry in PS1-A246E mouse mutants, a model of autosomal dominant AD overexpressing beta-amyloid (Abeta) peptide without amyloidosis or cell degeneration. Immunohistochemical samples were analyzed on adjacent sections for regional Abeta1-42 levels, as well as DNA oxidative damage with 8-hydroxy-2-deoxyguanosine (8-OHdG). COX activity increased in the basal forebrain nuclear complex, specific parts of the amygdala and hippocampus, as well as in striatum and connected regions. On the contrary, a hypometabolism was observed in midline thalamic, interpeduncular, and pedonculopontine nuclei. The integration of these regions in circuitries subserving emotions, arousal, and cognitive functions may explain why neurochemical alterations in specific brain regions were linearly correlated with psychomotor slowing and disinhibition previously reported in the mutant. As the PS1-A246E model appears to mimick prodromal AD, the results support the existence of mitochondrial abnormalities prior to AD-related cognitive deficits. However, since affected PS1-A246E brain regions were not primarily those altered in AD-associated histopathological features and did not systematically display either Abeta overexpression or higher 8-OHdG immunolabelling, the hypermetabolism observed seems to comprise a compensatory reaction to early mitochondrial abnormalities; furthermore, neuronal synaptic function should be considered as particularly relevant in COX activity changes.

  9. Direct determination of 2,4,6-tricholoroanisole in wines by single-drop ionic liquid microextraction coupled with multicapillary column separation and ion mobility spectrometry detection.

    Science.gov (United States)

    Márquez-Sillero, Isabel; Cárdenas, Soledad; Valcárcel, Miguel

    2011-10-21

    This article evaluates the capability of single drop ionic liquid microextraction coupled with multicapillary column (MCC) and ion mobility spectrometry (IMS) for the determination of 2,4,6-trichloroanisole (2,4,6-TCA) in wines. The proposed methodology permits the direct analysis of the samples without any additional treatment other than dilution. This is achieved thanks to the selectivity provided by the ionic liquid selected as extractant, 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)-imide, as well as the response of the analyte in the IMS working in negative ionization mode. Moreover, the multicapillary column avoids the interference of ethanol in the ion mobility spectra. The analysis of the sample takes ca. 35 min to be completed. The limit of detection was low as 0.01 ng L(-1) using 2 mL of wine sample. Different calibration curves were constructed using aqueous standards, red and white wines, being the signals comparable, with an RSD similar to the method variability. Finally, a set of samples of different nature and packed in different containers were analysed. It was found than those with cork stoppers presented the highest concentration of 2,4,6-TCA. Copyright © 2011 Elsevier B.V. All rights reserved.

  10. Alkaline Hydrolysis/Polymerization of 2,4,6-Trinitrotoluene: Characterization of Products by 13C and 15N NMR

    Science.gov (United States)

    Thorn, K.A.; Thorne, P.G.; Cox, L.G.

    2004-01-01

    Alkaline hydrolysis has been investigated as a nonbiological procedure for the destruction of 2,4,6-trinitrotoluene (TNT) in explosives contaminated soils and munitions scrap. Nucleophilic substitutions of the nitro and methyl groups of TNT by hydroxide ion are the initial steps in the alkaline degradation of TNT. Potential applications of the technique include both in situ surface liming and ex situ alkaline treatment of contaminated soils. A number of laboratory studies have reported the formation of an uncharacterized polymeric material upon prolonged treatment of TNT in base. As part of an overall assessment of alkaline hydrolysis as a remediation technique, and to gain a better understanding of the chemical reactions underlying the hydrolysis/polymerization process, the soluble and precipitate fractions of polymeric material produced from the calcium hydroxide hydrolysis of unlabeled and 15N-labeled TNT were analyzed by elemental analysis and 13C and 15N nuclear magnetic resonance spectroscopy. Spectra indicated that reactions leading to polymerization included nucleophilic displacement of nitro groups by hydroxide ion, formation of ketone, carboxyl, alcohol, ether, and other aliphatic carbons, conversion of methyl groups to diphenyl methylene carbons, and recondensation of aromatic amines and reduced forms of nitrite, including ammonia and possibly hydroxylamine, into the polymer. Compared to the distribution of carbons in TNT as 14% sp 3- and 86% sp2-hybridized, the precipitate fraction from hydrolysis of unlabeled TNT contained 33% sp3- and 67% sp 2-hybridized carbons. The concentration of nitrogen in the precipitate was 64% of that in TNT. The 15N NMR spectra showed that, in addition to residual nitro groups, forms of nitrogen present in the filtrate and precipitate fractions include aminohydroquinone, primary amide, indole, imine, and azoxy, among others. Unreacted nitrite was recovered in the filtrate fraction. The toxicities and susceptibilities to

  11. Pharmacokinetics and interspecies allometric scaling of ST-246, an oral antiviral therapeutic for treatment of orthopoxvirus infection.

    Directory of Open Access Journals (Sweden)

    Adams Amantana

    Full Text Available Plasma pharmacokinetics of ST-246, smallpox therapeutic, was evaluated in mice, rabbits, monkeys and dogs following repeat oral administrations by gavage. The dog showed the lowest Tmax of 0.83 h and the monkey, the highest value of 3.25 h. A 2- to 4-fold greater dose-normalized Cmax was observed for the dog compared to the other species. The mouse showed the highest dose-normalized AUC, which was 2-fold greater than that for the rabbit and monkey both of which by approximation, recorded the lowest value. The Cl/F increased across species from 0.05 L/h for mouse to 42.52 L/h for dog. The mouse showed the lowest VD/F of 0.41 L and the monkey, the highest VD/F of 392.95 L. The calculated extraction ratios were 0.104, 0.363, 0.231 and 0.591 for mouse, rabbit, monkey and dog, respectively. The dog showed the lowest terminal half-life of 3.10 h and the monkey, the highest value of 9.94 h. The simple allometric human VD/F and MLP-corrected Cl/F were 2311.51 L and 51.35 L/h, respectively, with calculated human extraction ratio of 0.153 and terminal half-life of 31.20 h. Overall, a species-specific difference was observed for Cl/F with this parameter increasing across species from mouse to dog. The human MLP-corrected Cl/F, terminal half-life, extraction ratios were in close proximity to the observed estimates. In addition, the first-in-humans (FIH dose of 485 mg, determined from the MLP-corrected allometry Cl/F, was well within the dose range of 400 mg and 600 mg administered in healthy adult human volunteers.

  12. Pharmacokinetics and interspecies allometric scaling of ST-246, an oral antiviral therapeutic for treatment of orthopoxvirus infection.

    Science.gov (United States)

    Amantana, Adams; Chen, Yali; Tyavanagimatt, Shanthakumar R; Jones, Kevin F; Jordan, Robert; Chinsangaram, Jarasvech; Bolken, Tove C; Leeds, Janet M; Hruby, Dennis E

    2013-01-01

    Plasma pharmacokinetics of ST-246, smallpox therapeutic, was evaluated in mice, rabbits, monkeys and dogs following repeat oral administrations by gavage. The dog showed the lowest Tmax of 0.83 h and the monkey, the highest value of 3.25 h. A 2- to 4-fold greater dose-normalized Cmax was observed for the dog compared to the other species. The mouse showed the highest dose-normalized AUC, which was 2-fold greater than that for the rabbit and monkey both of which by approximation, recorded the lowest value. The Cl/F increased across species from 0.05 L/h for mouse to 42.52 L/h for dog. The mouse showed the lowest VD/F of 0.41 L and the monkey, the highest VD/F of 392.95 L. The calculated extraction ratios were 0.104, 0.363, 0.231 and 0.591 for mouse, rabbit, monkey and dog, respectively. The dog showed the lowest terminal half-life of 3.10 h and the monkey, the highest value of 9.94 h. The simple allometric human VD/F and MLP-corrected Cl/F were 2311.51 L and 51.35 L/h, respectively, with calculated human extraction ratio of 0.153 and terminal half-life of 31.20 h. Overall, a species-specific difference was observed for Cl/F with this parameter increasing across species from mouse to dog. The human MLP-corrected Cl/F, terminal half-life, extraction ratios were in close proximity to the observed estimates. In addition, the first-in-humans (FIH) dose of 485 mg, determined from the MLP-corrected allometry Cl/F, was well within the dose range of 400 mg and 600 mg administered in healthy adult human volunteers.

  13. Effects, uptake, and fate of 2,4,6-trinitrotoluene aged in soil in plants and worms.

    Science.gov (United States)

    Best, Elly P H; Tatem, Henry E; Geter, Kaaren N; Wells, Melissa L; Lane, Brian K

    2008-12-01

    The present study was aimed at providing data to be used at predicting exposure-based effects of 2,4,6-trinitrotoluene (TNT) aged in soil on endpoint organisms representing two trophic levels. These data can be used to define criteria or reference values for environmental management and conducting specific risk assessment. Long-term exposure tests were conducted to evaluate sublethal toxicity and uptake of aged soil-based explosives, with TNT as the main contaminant. In these tests, plants were exposed for 55 d, and biomass and explosives residues were determined. Worms were exposed for 28 and 42 d, and biomass, number, and tissue residues were determined. Biomass of Lolium perenne significantly decreased with soil-TNT concentration, and an effective concentration causing a 20% decrease in biomass (EC20) for TNT metabolites of 3.75 mg/kg was calculated. The concentrations of TNT metabolites in shoots and roots were significantly related to concentrations in soil, as were concentrations of hexahydro-1,3,5-trinitro-1,3,5 triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). The mean bioconcentration factors, indicating the potential of a chemical to accumulate in an organism, were 0.9 for TNT metabolites, 71.8 for RDX, and 12.2 for HMX in L. perenne shoots. Biomass of Eisenia fetida adults significantly decreased with soil-TNT concentration, and an EC20 for TNT of 3.70 mg/kg was calculated. The TNT, RDX, and HMX levels in E. fetida were below detection.

  14. Transplacental transport and fetal localization of bispehnol A, tetrabromobisphenol A and 2,4,6-tribromophenol in mice

    Energy Technology Data Exchange (ETDEWEB)

    Sundberg, A.; Brunstroem, B.; Brandt, I. [Uppsala Univ. (Sweden). Dept. of Environmental Toxicology; Cantillana, T.; Bergman, Aa. [Stockholm Univ. (Sweden). Dept. of Environmental Chemistry

    2004-09-15

    Bisphenol A (BPA) is an intermediate in the production of epoxy resins, while its brominated derivative tetrabromobishenol A (TBBPA) and its photolysis degradation product 2,4,6-tribromophenol (TBP) are widely used flame retardants. These brominated compounds have been identified in human blood. TBBPA, TBP and a number of 4-hydroxy-PCBs (e.g. 4-OH-CB107) are high affinity ligands for the thyroxin (T4) transporter transthyretin (TTR) in rodents and other species. Displacement of T4 from the TTR binding site has been proposed as an important mechanism of endocrine disruption by certain halogenated phenolic environmental pollutants. BPA is a fairly potent environmental estrogen receptor agonist that can induce an array of estrogenic effects in several species including mammals, birds and fish. Although the estrogenic activity of TBBPA is less obvious, this brominated BPA analog has been reported to interact with the estrogen receptor and induce estrogenic effects in some in vitro test systems. While the reproductive and developmental toxicity of BPA is well documented, there is evidence that also halogenated phenolic compounds can pass the placental barrier and induce such toxicity. Within the objectives of the COMPARE EU project we study the fetal and maternal kinetics and transplacental transport of phenolic environmental pollutants in pregnant mice. To explore the role of TTR in the placental and blood-brain barrier transport, we employ TTR-deficient mice. For comparative reasons, we also explore the transfer to bird embryos following injection into the yolk or administration to the egg-laying bird. In the present communication, we report on the disposition of BPA, TBBPA and TBP in the fetoplacental unit in pregnant wild-type mice.

  15. Characterization of Cytomegalovirus Breakthrough Events in a Phase 2 Prophylaxis Trial of Letermovir (AIC246, MK 8228).

    Science.gov (United States)

    Lischka, Peter; Michel, Detlef; Zimmermann, Holger

    2016-01-01

    The efficacy of different letermovir (AIC246, MK8228) doses (60, 120, and 240 mg/day) against human cytomegalovirus (HCMV) was evaluated in a recent phase 2b dose-range-finding prophylaxis study in stem-cell transplant recipients. Here we report the genotypic and phenotypic characterization of 15 viral breakthroughs considered to be virological failures. Direct sequencing of an HCMV open reading frame UL56 region that included amino acids 230-370 and thus encompassed all known letermovir resistance mutations was followed by marker-transfer experiments to assess the impact of the identified sequence polymorphisms on viral fitness and susceptibility to letermovir. UL56 genotyping was successful for 12 of 15 patients. Six amino acid substitutions were detected in 5 patients. In 1 subject from the 60-mg-dose group, the known letermovir resistance mutation V236M was identified subsequent to a wild-type viremic episode. The remaining 5 sequence variants (L134V, S227I, Q228H, R410G, and D414N) were shown to be inert with regard to letermovir susceptibility, thus representing natural polymorphisms. Our findings represent the first case of a letermovir resistance mutation emerging in the clinic, apparently because of a suboptimal prophylactic dose (60 mg/day). This is in agreement with the trial's efficacy analyses, findings of which suggest that letermovir doses of 60 mg/day and 120 mg/day are suboptimal for prophylaxis whereas a dose of 240 mg/day appears to achieve complete suppression of viremia. © The Author 2015. Published by Oxford University Press for the Infectious Diseases Society of America. All rights reserved. For permissions, e-mail journals.permissions@oup.com.

  16. Spartathlon, a 246 kilometer foot race: effects of acute inflammation induced by prolonged exercise on circulating progenitor reparative cells.

    Science.gov (United States)

    Goussetis, Evgenios; Spiropoulos, Antonia; Tsironi, Maria; Skenderi, Katerina; Margeli, Alexandra; Graphakos, Stelios; Baltopoulos, Panayiotis; Papassotiriou, Ioannis

    2009-01-01

    Endothelial progenitor cells (EPCs) and the recently described circulating fibrocytes (CFs) are strongly associated with tissue repair. We investigated the kinetics of both "repair" progenitor cells in healthy athletes who participated in the "Spartahlon" ultradistance foot race (246 km continuous running exercise), which provides a unique model of inducing dramatic systemic inflammatory changes. Peripheral blood mononuclear cells (PBMCs) were isolated from 10 volunteer athletes, who completed successfully the race, before, at the end, and at 48 h post-race. EPCs and CFs were detected as endothelial colony-forming units (CFU-ECs) and as the number of adherent with a spindle-shaped morphology Collagen I(+) cells detected after 6-day culture of PBMCs, respectively. The marked increase of plasma levels of CRP, IL-6, SAA, MCP-1, IL-8, sVCAM-1, sICAM-1, thrombomodulin (sTM) and NT-pro-BNP at the end of race established acute inflammation and tissue injury. EPCs increased by nearly eleven-fold in peripheral blood at the end of the race from 44.5+/-2.5/ml to 494.6+/-27.9/ml and remained increased 428.5+/-31.5/ml at 48 h post-race (prace did not reveal any significant difference. These findings indicate that bone marrow responses to acute inflammatory damage, induced by exhausting exercise, with a rapid release of EPCs but not CFs into circulation. Given the ability of EPCs to promote angiogenesis and vascular regeneration, we may suggest that this kind of cell mobilization may serve as a physiologic repair mechanism in acute inflammatory tissue injury.

  17. Effectiveness of urea in enhancing the extractability of 2,4,6-trinitrotoluene from chemically variant soils.

    Science.gov (United States)

    Das, Padmini; Sarkar, Dibyendu; Makris, Konstantinos C; Punamiya, Pravin; Datta, Rupali

    2013-11-01

    One of the major challenges in developing an effective phytoremediation technology for 2,4,6-trinitrotoluene (TNT) contaminated soils is limited plant uptake resulting from low solubility of TNT. The effectiveness of urea as a solubilizing agent in increasing plant uptake of TNT in hydroponic systems has been documented. Our preliminary greenhouse experiments using urea were also very promising, but further characterization of the performance of urea in highly-complex soil-solution was necessary. The present study investigated the natural retention capacity of four chemically variant soils and optimized the factors influencing the effectiveness of urea in enhancing TNT solubility in the soil solutions. Results show that the extent of TNT sorption and desorption varies with the soil properties, and is mainly dependent on soil organic matter (SOM) content. Hysteretic desorption of TNT in all tested soils suggests irreversible sorption of TNT and indicates the need of using an extractant to increase the release of TNT in soil solutions. Urea significantly (p<0.0001) enhanced TNT extraction from all soils, by increasing its solubility at the solid/liquid interface. Soil organic matter content and urea application rates showed significant effects, whereas pH did not exert any significant effect on urea catalysis of TNT extraction from soil. The optimum urea application rates (125 or 350 mg kg(-1)) for maximizing TNT extraction were within the limits set by the agronomic fertilizer-N rates used for major agricultural crops. The data obtained from this batch study will facilitate the optimization of a chemically-catalyzed phytoremediation model for cleaning up TNT-contaminated soils. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. Alkaline hydrolysis/polymerization of 2,4,6-trinitrotoluene: characterization of products by 13C and 15N NMR.

    Science.gov (United States)

    Thorn, Kevin A; Thorne, Philip G; Cox, Larry G

    2004-04-01

    Alkaline hydrolysis has been investigated as a nonbiological procedure for the destruction of 2,4,6-trinitrotoluene (TNT) in explosives contaminated soils and munitions scrap. Nucleophilic substitutions of the nitro and methyl groups of TNT by hydroxide ion are the initial steps in the alkaline degradation of TNT. Potential applications of the technique include both in situ surface liming and ex situ alkaline treatment of contaminated soils. A number of laboratory studies have reported the formation of an uncharacterized polymeric material upon prolonged treatment of TNT in base. As part of an overall assessment of alkaline hydrolysis as a remediation technique, and to gain a better understanding of the chemical reactions underlying the hydrolysis/polymerization process, the soluble and precipitate fractions of polymeric material produced from the calcium hydroxide hydrolysis of unlabeled and 15N-labeled TNT were analyzed by elemental analysis and 13C and 15N nuclear magnetic resonance spectroscopy. Spectra indicated that reactions leading to polymerization included nucleophilic displacement of nitro groups by hydroxide ion, formation of ketone, carboxyl, alcohol, ether, and other aliphatic carbons, conversion of methyl groups to diphenyl methylene carbons, and recondensation of aromatic amines and reduced forms of nitrite, including ammonia and possibly hydroxylamine, into the polymer. Compared to the distribution of carbons in TNT as 14% sp3- and 86% sp2-hybridized, the precipitate fraction from hydrolysis of unlabeled TNT contained 33% sp3- and 67% sp2-hybridized carbons. The concentration of nitrogen in the precipitate was 64% of that in TNT. The 15N NMR spectra showed that, in addition to residual nitro groups, forms of nitrogen present in the filtrate and precipitate fractions include aminohydroquinone, primary amide, indole, imine, and azoxy, among others. Unreacted nitrite was recovered in the filtrate fraction. The toxicities and susceptibilities to

  19. Rerouting nucleophilic substitution from the 4-position to the 2- or 6-position of 2,4-dihalopyridines and 2,4,6-trihalopyridines: the solution to a long-standing problem.

    Science.gov (United States)

    Schlosser, Manfred; Rausis, Thierry; Bobbio, Carla

    2005-01-06

    2,4-Difluoro-, 2,4,6-trifluoro-, and 2,3,4,6-tetrafluoropyridine undergo nucleophilic substitution preferentially if not exclusively at the 4-position. However, after the introduction of a trialkylsilyl group at C-3 or C-5, the halogen at the 6-(2-)position is displaced selectively. This synthetically valuable regiocontrol can also be realized with other halopyridines such as 2,4-dichloro- and 2,4,6-trichloropyridine.

  20. Visceral hypersensitivity is provoked by 2,4,6-trinitrobenzene sulfonic acid-induced ileitis in rats

    Directory of Open Access Journals (Sweden)

    Manoj Kumar Shah

    2016-07-01

    Full Text Available Background and Aims: Crohn’s Disease (CD, a chronic Inflammatory Bowel Disease, can occur in any part of the gastrointestinal tract, but most frequently in the ileum. Visceral hypersensitivity contributes for development of chronic abdominal pain in this disease. Currently, the understanding of the mechanism underlying hypersensitivity of Crohn’s ileitis has been hindered by a lack of specific animal model. The present study is undertaken to investigate the visceral hypersensitivity provoked by 2,4,6-trinitrobenzene sulfonic (TNBS-induced ileitis rats.Methods: Male Sprague-Dawley rats were anaesthetized and laparotomized for intraileal injection of TNBS (0.6 ml, 80 mg/kg body weight in 30% ethanol, n = 48, an equal volume of 30% Ethanol (n = 24 and Saline (n = 24, respectively. Visceral hypersensitivity was assessed by visceromotor responses (VMR to 20, 40, 60, 80 and 100 mmHg colorectal distension pressure (CRD at day 1, 3, 7, 14, 21 and 28. Immediately after CRD test, the rats were euthanized for collecting the terminal ileal segment for histopathological examinations and ELISA of myleoperoxidase and cytokines (TNF-α, IL-1β, IL-6, and dorsal root ganglia (T11 for determination of calcitonin gene-related peptide by immunohistochemistry, respectively. Results: Among all groups, TNBS-treatment showed transmural inflammation initially at 3 days, reached maximum at 7 days and persisted up to 21 days. The rats with ileitis exhibited (P < 0.05 VMR to CRD at day 7 to day 21. The calcitonin gene-related peptide-immunoreactive positive cells increased (P < 0.05 in dorsal root ganglia at day 7 to 21, which was persistently consistent with visceral hypersensitivity in TNBS-treated rats.Conclusions: TNBS injection into the ileum induced transmural ileitis including granuloma and visceral hypersensitivity. As this model mimics clinical manifestations of CD, it may provide a road map to probe the pathogenesis of gut inflammation and visceral

  1. SEMI SINTESIS SENYAWA 2,4,6-TRINITROFENILHIDRAZON KALANON DAN UJI AKTIVITAS TERHADAP SEL LEUKIMIA L1210

    Directory of Open Access Journals (Sweden)

    Mochammad Chasani

    2011-11-01

    Full Text Available Kalanon adalah senyawa antikanker yang diisolasi dari Calophyllum biflorum Hends dan Ws. Aktivitas kalanon terhadap sel leukemia L1210 masih rendah yakni dengan niali IC50 = 59,4 ug/mL. Suatu senyawa dikatakan aktif sebagai antikanker jjika memiliki nilai IC50 di bawah 10 ug/mL. Penelitian ini ditujukan untuk mensintesis senyawa turunan kalanon dan diharapkan diperoleh senyawa baru yang mempunyai aktivitas lebih tinggi dibandingkan senyawa asal kalanon. Senyawa turunan kalanon diperoleh melalui reaksi antara kalanon dengan 2,4,6-trinitrofenilhidrazin. Reaksi dilakukan pada suhu 78 oC selama delapan jam. Analisis pendahuluan senyawa hasil sintesis dilakukan dengan metode kromatografi lapis tipis (KLT menggunakan eluen n-heksana dan etil asetat (2:1, v/v. Pemurnian senyawa hasil sintesis menggunakan teknik rekristalisasi dengan pelarut n-heksana dan diklorometan (3:1, v/v. Senyawa hasil sintesis diperoleh dengan Rf = 0,6609 dan rendemen 5,125 % ( b/b serta berupa kristal berwarna coklat. Identifikasi senyawa hasil sintesis dilakukan dengan spektrometer massa dan spektrofotometer IR. Hasil identifikasi menunjukkan bahwa senyawa hasil sintesis yang diharapkan telah terbentuk. Data spektrometer massa diperoleh ion molekul M+ = 647 dengan lepasnya molekul H2. Fragmen-fragmen yang terbentuk adalah pada m/e = 504, m/e = 479, m/e = 451, m/e = 429, m/e = 405, m/e = 377, m/e = 341, m/e = 316, m/e = 281, m/e = 253, m/e = 233, m/e = 207, m/e = 177, m/e = 156, m/e = 135, m/e = 96, m/e = 73, dan m/e = 41. Hasil spektrofotometer IR menunjukkan pita serapan pada 1654.8 cm-1 yang merupakan daerah regang ikatan rangkap C=N, pita serapan pada 3000 cm-1 – 3400 cm-1 adalah pita getaran OH fenol dan pita pada 1380 cm-1 menunjukkan rentangan simetri gugus nitro (NO2. Hasil uji sitotoksik terhadap sel leukemia L1210 menghasilkan nilai IC50 sebesr 47.69 μg/ml.

  2. Photophysical Diversity of Water-Soluble Fluorescent Conjugated Polymers Induced by Surfactant Stabilizers for Rapid and Highly Selective Determination of 2,4,6-Trinitrotoluene Traces.

    Science.gov (United States)

    Alizadeh, Naader; Akbarinejad, Alireza; Ghoorchian, Arash

    2016-09-21

    The increasing application of fluorescence spectroscopy in development of reliable sensing platforms has triggered a lot of research interest for the synthesis of advanced fluorescent materials. Herein, we report a simple, low-cost strategy for the synthesis of a series of water-soluble conjugated polymer nanoparticles with diverse emission range using cationic (hexadecyltrimethylammonium bromide, CTAB), anionic (sodium dodecylbenzenesulfonate, SDBS), and nonionic (TX114) surfactants as the stabilizing agents. The role of surfactant type on the photophisical and sensing properties of resultant polymers has been investigated using dynamic light scattering (DLS), FT-IR, UV-vis, fluorescence, and energy dispersive X-ray (EDS) spectroscopies. The results show that the surface polarity, size, and spectroscopic and sensing properties of conjugated polymers could be well controlled by the proper selection of the stabilizer type. The fluorescent conjugated polymers exhibited fluorescence quenching toward nitroaromatic compounds. Further studies on the fluorescence properties of conjugated polymers revealed that the emission of the SDBS stabilized polymer, N-methylpolypyrrole-SDBS (NMPPY-SDBS), is strongly quenched by 2,4,6-trinitrotoluene molecule with a large Stern -Volmer constant of 59 526 M(-1) and an excellent detection limit of 100 nM. UV-vis and cyclic voltammetry measurements unveiled that fluorescence quenching occurs through a charge transfer mechanism between electron rich NMPPY-SDBS and electron deficient 2,4,6-trinitrotoluene molecules. Finally, the as-prepared conjugated polymer and approach were successfully applied to the determination of 2,4,6-trinitrotoluene in real water samples.

  3. Comparison of the safety and pharmacokinetics of ST-246® after i.v. infusion or oral administration in mice, rabbits and monkeys.

    Directory of Open Access Journals (Sweden)

    Yali Chen

    Full Text Available ST-246® is an antiviral, orally bioavailable small molecule in clinical development for treatment of orthopoxvirus infections. An intravenous (i.v. formulation may be required for some hospitalized patients who are unable to take oral medication. An i.v. formulation has been evaluated in three species previously used in evaluation of both efficacy and toxicology of the oral formulation.The pharmacokinetics of ST-246 after i.v. infusions in mice, rabbits and nonhuman primates (NHP were compared to those obtained after oral administration. Ten minute i.v. infusions of ST-246 at doses of 3, 10, 30, and 75 mg/kg in mice produced peak plasma concentrations ranging from 16.9 to 238 µg/mL. Elimination appeared predominately first-order and exposure dose-proportional up to 30 mg/kg. Short i.v. infusions (5 to 15 minutes in rabbits resulted in rapid distribution followed by slower elimination. Intravenous infusions in NHP were conducted at doses of 1 to 30 mg/kg. The length of single infusions in NHP ranged from 4 to 6 hours. The pharmacokinetics and tolerability for the two highest doses were evaluated when administered as two equivalent 4 hour infusions initiated 12 hours apart. Terminal elimination half-lives in all species for oral and i.v. infusions were similar. Dose-limiting central nervous system effects were identified in all three species and appeared related to high C(max plasma concentrations. These effects were eliminated using slower i.v. infusions.Pharmacokinetic profiles after i.v. infusion compared to those observed after oral administration demonstrated the necessity of longer i.v. infusions to (1 mimic the plasma exposure observed after oral administration and (2 avoid C(max associated toxicity. Shorter infusions at higher doses in NHP resulted in decreased clearance, suggesting saturated distribution or elimination. Elimination half-lives in all species were similar between oral and i.v. administration. The administration of ST-246

  4. 2,4,6-Trichloro-1,3,5-triazine (TCT mediated one pot direct synthesis of N-benzoylthioureas from carboxylic acids

    Directory of Open Access Journals (Sweden)

    Somnath Gholap

    2017-05-01

    Full Text Available An efficient 2,4,6-trichloro-1,3,5-triazine (TCT mediated synthesis of N-benzoylthiourea derivatives from carboxylic acid has been described. The reaction of TCT (1, triethyl amine in dichloromethane gives tris-quaternary ammonium salt (A, reacted with carboxylic acid to form activated ester as an intermediate (B. Aroylthiocyanate was formed by the reaction of activated ester ‘B’ and ammonium isothiocyanate followed by aliphatic or aromatic amines affording structurally diverse N-benzoylthiourea derivatives 3. The synthesized compounds were characterized by IR, 1H NMR and mass spectral data.

  5. Influence of Halogen Substituents on the Catalytic Oxidation of 2,4,6-Halogenated Phenols by Fe(III)-Tetrakis(p-hydroxyphenyl) porphyrins and Potassium Monopersulfate

    OpenAIRE

    Seiya Nagao; Hideki Kuramitz; Qianqian Zhu; Shouhei Maeno; Masami Fukushima; Yusuke Mizutani

    2011-01-01

    The influence of halogen substituents on the catalytic oxidation of 2,4,6-trihalogenated phenols (TrXPs) by iron(III)-porphyrin/KHSO5 catalytic systems was investigated. Iron(III)-5,10,15,20-tetrakis(p-hydroxyphenyl)porphyrin (FeTHP) and its supported variants were employed, where the supported catalysts were synthesized by introducing FeTHP into hydroquinone-derived humic acids via formaldehyde poly-condensation. F (TrFP), Cl (TrCP), Br (TrBP) and I (TrIP) were examined as halogen substituen...

  6. PRIMA-1Met/APR-246 induces apoptosis and tumor growth delay in small cell lung cancer expressing mutant p53

    DEFF Research Database (Denmark)

    Zandi, Roza; Selivanova, Galina; Christensen, Camilla Laulund

    2011-01-01

    Small cell lung cancer (SCLC) is a highly malignant disease with poor prognosis, necessitating the need to develop new and efficient treatment modalities. PRIMA-1(Met) (p53-dependent reactivation of massive apoptosis), also known as APR-246, is a small molecule, which restores tumor suppressor fu...... function to mutant p53 and induces cancer cell death in various cancer types. Since p53 is mutated in more than 90% of SCLC, we investigated the ability of PRIMA-1(Met) to induce apoptosis and inhibit tumor growth in SCLC with different p53 mutations....

  7. Micelle-Assisted Synthesis of Al2O3·CaO Nanocatalyst: Optical Properties and Their Applications in Photodegradation of 2,4,6-Trinitrophenol

    Directory of Open Access Journals (Sweden)

    Ayesha Imtiaz

    2013-01-01

    Full Text Available Calcium oxide (CaO nanoparticles are known to exhibit unique property due to their high adsorption capacity and good catalytic activity. In this work the CaO nanocatalysts were prepared by hydrothermal method using anionic surfactant, sodium dodecyl sulphate (SDS, as a templating agent. The as-synthesized nanocatalysts were further used as substrate for the synthesis of alumina doped calcium oxide (Al2O3·CaO nanocatalysts via deposition-precipitation method at the isoelectric point of CaO. The Al2O3·CaO nanocatalysts were characterized by FTIR, XRD, TGA, TEM, and FESEM techniques. The catalytic efficiencies of these nanocatalysts were studied for the photodegradation of 2,4,6-trinitrophenol (2,4,6-TNP, which is an industrial pollutant, spectrophotometrically. The effect of surfactant and temperature on size of nanocatalysts was also studied. The smallest particle size and highest percentage of degradation were observed at critical micelle concentration of the surfactant. The direct optical band gap of the Al2O3·CaO nanocatalyst was found as 3.3 eV.

  8. Micelle-assisted synthesis of Al2O3·CaO nanocatalyst: optical properties and their applications in photodegradation of 2,4,6-trinitrophenol.

    Science.gov (United States)

    Imtiaz, Ayesha; Farrukh, Muhammad Akhyar; Khaleeq-ur-rahman, Muhammad; Adnan, Rohana

    2013-01-01

    Calcium oxide (CaO) nanoparticles are known to exhibit unique property due to their high adsorption capacity and good catalytic activity. In this work the CaO nanocatalysts were prepared by hydrothermal method using anionic surfactant, sodium dodecyl sulphate (SDS), as a templating agent. The as-synthesized nanocatalysts were further used as substrate for the synthesis of alumina doped calcium oxide (Al2O3·CaO) nanocatalysts via deposition-precipitation method at the isoelectric point of CaO. The Al2O3·CaO nanocatalysts were characterized by FTIR, XRD, TGA, TEM, and FESEM techniques. The catalytic efficiencies of these nanocatalysts were studied for the photodegradation of 2,4,6-trinitrophenol (2,4,6-TNP), which is an industrial pollutant, spectrophotometrically. The effect of surfactant and temperature on size of nanocatalysts was also studied. The smallest particle size and highest percentage of degradation were observed at critical micelle concentration of the surfactant. The direct optical band gap of the Al2O3·CaO nanocatalyst was found as 3.3 eV.

  9. Hexaaquabis[3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanido-κ2N3,O4]barium tetrahydrate

    Directory of Open Access Journals (Sweden)

    Nguyen Dinh Do

    2013-11-01

    Full Text Available In the title compound, [Ba(C7H5N2O52(H2O6]·4H2O, the Ba2+ cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanide oxo O atoms [Ba—O = 2.8715 (17 Å], two hydroxyimino N atoms [Ba—N = 3.036 (2 Å], and six water molecules [Ba—O = 2.847 (2, 2.848 (2, and 2.880 (2 Å]. The 3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hydroxyimino group and an O atom of the neighboring oxo group. Two lattice water molecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water molecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed.

  10. Effect of the Mg/Al Ratio on Activated Sol-Gel Hydrotalcites for Photocatalytic Degradation of 2,4,6-Trichlorophenol

    Directory of Open Access Journals (Sweden)

    Esthela Ramos-Ramírez

    2017-01-01

    Full Text Available Currently, interest has grown in finding effective solutions for the treatment of water pollution by toxic compounds. Some of the latter that have acquired importance are phenols and chlorophenols, due to their employment in the manufacture of pesticides, insecticides, cords of wood, paper industry, among others. The problem is rooted in that these compounds are very persistent in the environment because they are partially biodegradable and cannot be photodegraded directly by sunlight. Chlorophenols are extremely toxic, especially 2,4,6-trichlorophenol, which is potentially carcinogenic. In this work, Mg/Al-mixed oxide catalysts were obtained from the thermal treatment of hydrotalcite-type materials, synthesized by sol-gel method with different Mg/Al ratios. Hydrotalcites and Mg/Al-mixed oxides were physicochemically characterized by X-ray diffraction, thermal analysis (DTA and TGA, and N2 physisorption. The results were obtained on having proven the photocatalytic degradation of 2,4,6-trichlorophenol as a pollutant model by water. The catalysts obtained present the hydrotalcite phase with thermal evolution until achieving Mg/Al-mixed oxides at 500°C. The catalysts are of mesoporous materials and exhibiting large surface areas. The catalysts demonstrated good photocatalytic activity with good efficiency, reaching degradation percentages with Mg/Al = 1, 2, 4, 5, and 7 ratios of 94.2, 92.5, 86.2, 84.2, and 63.9%, respectively, until achieving mineralization.

  11. Automated absolute activation analysis with californium-252 sources

    Energy Technology Data Exchange (ETDEWEB)

    MacMurdo, K.W.; Bowman, W.W.

    1978-09-01

    A 100-mg /sup 252/Cf neutron activation analysis facility is used routinely at the Savannah River Laboratory for multielement analysis of many solid and liquid samples. An absolute analysis technique converts counting data directly to elemental concentration without the use of classical comparative standards and flux monitors. With the totally automated pneumatic sample transfer system, cyclic irradiation-decay-count regimes can be pre-selected for up to 40 samples, and samples can be analyzed with the facility unattended. An automatic data control system starts and stops a high-resolution gamma-ray spectrometer and/or a delayed-neutron detector; the system also stores data and controls output modes. Gamma ray data are reduced by three main programs in the IBM 360/195 computer: the 4096-channel spectrum and pertinent experimental timing, counting, and sample data are stored on magnetic tape; the spectrum is then reduced to a list of significant photopeak energies, integrated areas, and their associated statistical errors; and the third program assigns gamma ray photopeaks to the appropriate neutron activation product(s) by comparing photopeak energies to tabulated gamma ray energies. Photopeak areas are then converted to elemental concentration by using experimental timing and sample data, calculated elemental neutron capture rates, absolute detector efficiencies, and absolute spectroscopic decay data. Calculational procedures have been developed so that fissile material can be analyzed by cyclic neutron activation and delayed-neutron counting procedures. These calculations are based on a 6 half-life group model of delayed neutron emission; calculations include corrections for delayed neutron interference from /sup 17/O. Detection sensitivities of < or = 400 ppB for natural uranium and 8 ppB (< or = 0.5 (nCi/g)) for /sup 239/Pu were demonstrated with 15-g samples at a throughput of up to 140 per day. Over 40 elements can be detected at the sub-ppM level.

  12. Metastable charge-transfer state of californium(iii) compounds.

    Science.gov (United States)

    Liu, Guokui; Cary, Samantha K; Albrecht-Schmitt, Thomas E

    2015-06-28

    Among a series of anomalous physical and chemical properties of Cf(iii) compounds revealed by recent investigations, the present work addresses the characteristics of the optical spectra of An(HDPA)3·H2O (An = Am, Cm, and Cf), especially the broadband photoluminescence from Cf(HDPA)3·H2O induced by ligand-to-metal charge transfer (CT). As a result of strong ion-ligand interactions and the relative ease of reducing Cf(iii) to Cf(ii), a CT transition occurs at low energy (transfer state undergoes radiative and non-radiative relaxations. Broadening of the CT transition arises from strong vibronic coupling and hole-charge interactions in the valence band. The non-radiative relaxation of the metastable CT state results from a competition between phonon-relaxation and thermal tunneling that populates the excited states of Cf(iii).

  13. Graphenes prepared from multi-walled carbon nanotubes and stacked graphene nanofibers for detection of 2,4,6-trinitrotoluene (TNT) in seawater.

    Science.gov (United States)

    Tan, Shu Min; Chua, Chun Kiang; Pumera, Martin

    2013-03-21

    The study on explosive materials is paramount due to the potential hazards to national security and health. When disposed of, explosives can cause seawater pollution. The detection of 2,4,6-trinitrotoluene (TNT) in seawater has been examined on two different forms of graphene, mainly graphene prepared from the unzipping of multi-walled carbon nanotubes (MWCNTs) and from the exfoliation of stacked graphene nanofibers (SGNFs). Graphene sheets prepared from MWCNTs exhibited sheet dimensions of 5000 × 300 nm, while graphene prepared from SGNFs exhibited sheet dimensions of 50 × 50 nm. Graphene prepared from MWCNTs was found to exhibit a higher order of sensitivity than the one prepared from nanofibers in both borate buffer solution and seawater. We demonstrate that it is of high importance to study different sources and methods of preparation of graphenes for analytical chemistry applications.

  14. Selective and sensitive aqueous-phase detection of 2,4,6-trinitrophenol (TNP) by an amine-functionalized metal-organic framework.

    Science.gov (United States)

    Joarder, Biplab; Desai, Aamod V; Samanta, Partha; Mukherjee, Soumya; Ghosh, Sujit K

    2015-01-12

    Highly selective and sensitive aqueous-phase detection of nitro explosive 2,4,6-trinitrophenol (TNP) by a hydrolytically stable 3D luminescent metal-organic framework is reported. The compound senses TNP exclusively even in the presence of other nitro-compounds, with an unprecedented sensitivity in the MOF regime by means of strategic deployment of its free amine groups. Such an accurate sensing of TNP, widely recognized as a harmful environmental contaminant in water media, establishes this new strategic approach as one of the frontiers to tackle present-day security and health concerns in a real-time scenario. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Fabrication of surface plasmon resonance sensor surface with control of the nonspecific adsorption and affinity for the detection of 2,4,6-trinitrotoluene using an antifouling copolymer

    Directory of Open Access Journals (Sweden)

    Rui eYatabe

    2014-04-01

    Full Text Available We fabricated a surface plasmon resonance (SPR sensor using a hydrophilic polymer for the highly sensitive detection of 2,4,6-trinitrotoluene (TNT. The hydrophilic polymer was made from mono-2-(methacryloyloxyethylsuccinate (MES and 2-hydroxyethylmethacrylate (HEMA by surface-initiated atom transfer radical polymerization (SI-ATRP. The detection of TNT was carried out by displacement assay with the SPR measurement. In displacement assay, the affinity between anti-TNT antibody and the sensor surface, affects to the sensitivity. In the SPR measurement, nonspecific adsorption should be controlled because SPR sensor cannot discriminate between specific and nonspecific adsorption. Therefore, the affinity and nonspecific adsorption were controlled by changing the ratio of HEMA to MES. A detection limit of 0.4 ng/ml (ppb for TNT was achieved using a sensor surface with the lowest affinity without nonspecific adsorption.

  16. Novel pyridine-2,4,6-tricarbohydrazide derivatives: design, synthesis, characterization and in vitro biological evaluation as α- and β-glucosidase inhibitors.

    Science.gov (United States)

    Riaz, Sadaf; Khan, Islam Ullah; Yar, Muhammad; Ashraf, Muhammad; Rehman, Tanzeel Ur; Shaukat, Ayesha; Jamal, Syed Babar; Duarte, Vera C M; Alves, Maria J

    2014-12-01

    A range of novel pyridine 2,4,6-tricarbohydrazide derivatives (4a-4h) were synthesized and its biological inhibition towards α- and β-glucosidases was studied. Most of the compounds demonstrate to be active against α-glucosidase, and quite inactive/completely inactive against β-glucosidase. A number of compounds were found to be more active against α-glucosidase than the reference compound acarbose (IC50 38.25±0.12μM); being compound 4d with the p-hydroxy phenyl motive the most active (IC50 20.24±0.72μM). Molecular modeling studies show the interactions of compound 4d with the active site of target α-glucosidase kinase. Copyright © 2014 Elsevier Inc. All rights reserved.

  17. Graphene-based electrochemical sensor for detection of 2,4,6-trinitrotoluene (TNT) in seawater: the comparison of single-, few-, and multilayer graphene nanoribbons and graphite microparticles.

    Science.gov (United States)

    Goh, Madeline Shuhua; Pumera, Martin

    2011-01-01

    The detection of explosives in seawater is of great interest. We compared response single-, few-, and multilayer graphene nanoribbons and graphite microparticle-based electrodes toward the electrochemical reduction of 2,4,6-trinitrotoluene (TNT). We optimized parameters such as accumulation time, accumulation potential, and pH. We found that few-layer graphene exhibits about 20% enhanced signal for TNT after accumulation when compared to multilayer graphene nanoribbons. However, graphite microparticle-modified electrode provides higher sensitivity, and there was no significant difference in the performance of single-, few-, and multilayer graphene nanoribbons and graphite microparticles for the electrochemical detection of TNT. We established the limit of detection of TNT in untreated seawater at 1 μg/mL.

  18. Synthesis of novel tripodal-benzimidazole from 2,4,6-tris(p-formylphenoxy)-1,3,5-triazine: Structural, electrochemical and antimicrobial studies

    Energy Technology Data Exchange (ETDEWEB)

    Koc, Ziya Erdem, E-mail: zerdemkoc@gmail.com [Department of Chemistry, Faculty of Science, Selcuk University, 42031 Konya (Turkey); Bingol, Haluk; Saf, Ahmet O. [Department of Chemistry, Faculty of Science, Selcuk University, 42031 Konya (Turkey); Torlak, Emrah [Provincial Control Laboratory, Konya (Turkey); Coskun, Ahmet [Department of Chemistry, Faculty of Science, Selcuk University, 42031 Konya (Turkey)

    2010-11-15

    Four new tripodal-benzimidazole derivatives were synthesized by Schiff base reaction between 2,4,6-tris(p-formylphenoxy)-1,3,5-triazine (TRIPOD) and different diamine derivatives. The structures of the obtained compounds were identified by FT-IR, {sup 1}H NMR, {sup 13}C NMR and UV-vis spectral data, thermal analysis and elemental analysis. Electrochemical behaviors of the compounds were studied by cyclic voltammetry in DMF including 0.1 M [NBu{sub 4}] [PF{sub 6}]. The voltammograms showed peaks having similar characteristics except tripodal-benzimidazole including -NO{sub 2} derivative. In addition, their antimicrobial activities were evaluated by using the standard disk diffusion method in dimethylformamide media. The activities were determined against 4 bacteria cultures by comparing to those of gentamycin.

  19. Safety and tolerability of sitagliptin in clinical studies: a pooled analysis of data from 10,246 patients with type 2 diabetes

    Directory of Open Access Journals (Sweden)

    Guo Hua

    2010-04-01

    Full Text Available Abstract Background In a previous pooled analysis of 12 double-blind clinical studies that included data on 6,139 patients with type 2 diabetes, treatment with sitagliptin, a dipeptidyl peptidase-4 (DPP-4 inhibitor, was shown to be generally well tolerated compared with treatment with control agents. As clinical development of sitagliptin continues, additional studies have been completed, and more patients have been exposed to sitagliptin. The purpose of the present analysis is to update the safety and tolerability assessment of sitagliptin by pooling data from 19 double-blind clinical studies. Methods The present analysis included data from 10,246 patients with type 2 diabetes who received either sitagliptin 100 mg/day (N = 5,429; sitagliptin group or a comparator agent (placebo or an active comparator (N = 4,817; non-exposed group. The 19 studies from which this pooled population was drawn represent the double-blind, randomized studies that included patients treated with the usual clinical dose of sitagliptin (100 mg/day for between 12 weeks and 2 years and for which results were available as of July 2009. These 19 studies assessed sitagliptin taken as monotherapy, initial combination therapy with metformin or pioglitazone, or as add-on combination therapy with other antihyperglycemic agents (metformin, pioglitazone, a sulfonylurea ± metformin, insulin ± metformin, or rosiglitazone + metformin. Patients in the non-exposed group were taking placebo, metformin, pioglitazone, a sulfonylurea ± metformin, insulin ± metformin, or rosiglitazone + metformin. The analysis used patient-level data from each study to evaluate between-group differences in the exposure-adjusted incidence rates of adverse events. Results Summary measures of overall adverse events were similar in the sitagliptin and non-exposed groups, except for an increased incidence of drug-related adverse events in the non-exposed group. Incidence rates of specific adverse events were

  20. Impact of pre-operative serum 25-hydroxyvitamin D on post-operative serum calcium in patients undergoing total thyroidectomy for benign goitre: retrospective study of 246 patients.

    Science.gov (United States)

    Erlem, M; Klopp-Dutote, N; Biet-Hornstein, A; Strunski, V; Page, C

    2017-10-01

    To determine whether pre-operative serum 25-hydroxyvitamin D has an impact on post-operative parathyroid hormone and serum calcium levels in patients undergoing total thyroidectomy for benign goitre. This single-centre, retrospective study comprised 246 unselected surgical patients who had undergone total thyroidectomy for bilateral, benign, multinodular goitre. The correlation between pre-operative serum 25-hydroxyvitamin D and post-operative serum parathyroid hormone and serum calcium was studied to determine whether low pre-operative serum 25-hydroxyvitamin D was predictive of post-operative hypocalcaemia. Seventy-nine patients (32 per cent) had post-operative hypocalcaemia. Eighteen patients (7.32 per cent) experienced unintentional parathyroidectomy (1 parathyroid gland in 15 patients, 2 parathyroid glands in 3 patients). In univariate analysis, pre-operative serum 25-hydroxyvitamin D was not correlated with post-operative serum calcium (p = 0.69) or post-operative serum parathyroid hormone (p = 0.5804). Furthermore, in multivariate analysis, which took into account unintentional parathyroidectomy, no correlation was found (p = 0.33). Bilateral unintentional parathyroidectomy was statistically associated with post-operative hypocalcaemia (p = 0.032). Pre-operative serum 25-hydroxyvitamin D did not appear to have any impact on post-operative serum calcium in patients undergoing total thyroidectomy for benign goitre.

  1. The microbial degradation of 2,4,6-tribromophenol (TBP) in water/sediments interface: Investigating bioaugmentation using Bacillus sp. GZT.

    Science.gov (United States)

    Xiong, Jukun; Li, Guiying; An, Taicheng

    2017-01-01

    The substance 2,4,6-Tribromophenol (TBP) is used as a flame retardant in electronic and electric devices, and is a replacement for pentachlorophenol in wood preservation. TBP is a contaminant in different environmental matrices, at levels where treatment is required. This study examined the relationship between the bioaugmention of TBP degradation and the evolution of the microbial community in river water/sediment microcosms. When compared with unamended controls, bioaugmentation with Bacillus sp. GZT effectively enhanced TBP biodegradation, with approximately 40.7% of the TBP removal after a 7-week incubation period, without a lag phase (pTBP biodegradation in river water/sediments (p>0.05). However, TBP biodegradation was enhanced by adding other additives, including NaCl, humic acid, sodium lactate, and sodium propionate alone, especially glucose and yeast extract. A metagenomics analysis of the total 16S rRNA genes from the treatment system with bioaugmentation showed that four microbial phyla were dominant: Proteobacteria (52.08-66.22%), Actinobacteria (20.03-5.47%), Bacteroidetes (6.68-13.68%), and Firmicutes (4.53-20.83%). This study highlights the possible benefits using bioaugmentation with GZT to remediate TBP-polluted water and sediments. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Mechanistic and Kinetic Studies on the Homogeneous Gas-Phase Formation of PCTA/DTs from 2,4-Dichlorothiophenol and 2,4,6-Trichlorothiophenol

    Directory of Open Access Journals (Sweden)

    Fei Xu

    2015-08-01

    Full Text Available Polychlorinated thianthrene/dibenzothiophenes (PCTA/DTs are sulfur analogues compounds to polychlorinated dibenzo-p-dioxin/dibenzofurans (PCDD/Fs. Chlorothiophenols (CTPs are key precursors to form PCTA/DTs. 2,4-DCTP has the minimum number of Cl atoms to form 2,4,6,8-tetrachlorinated dibenzothiophenes (2,4,6,8-TeCDT, which is the most important and widely detected of the PCDTs. In this paper, quantum chemical calculations were carried out to investigate the homogeneous gas-phase formation of PCTA/DTs from 2,4-DCTP and 2,4,6-TCTP precursors at the MPWB1K/6-311+G(3df,2p//MPWB1K/6-31+G(d,p level. Several energetically feasible pathways were revealed to compare the formation potential of PCTA/DT products. The rate constants of the crucial elementary reactions were evaluated by the canonical variational transition-state (CVT theory with the small curvature tunneling (SCT correction over a wide temperature range of 600–1200 K. This study shows that pathways that ended with elimination of Cl step were dominant over pathways ended with elimination of the H step. The water molecule has a negative catalytic effect on the H-shift step and hinders the formation of PCDTs from 2,4-DCTP. This study, together with works already published from our group, clearly illustrates an increased propensity for the dioxin formation from CTPs over the analogous CPs.

  3. 2,4,6-Tribromophenol Interferes with the Thyroid Hormone System by Regulating Thyroid Hormones and the Responsible Genes in Mice.

    Science.gov (United States)

    Lee, Dongoh; Ahn, Changhwan; Hong, Eui-Ju; An, Beum-Soo; Hyun, Sang-Hwan; Choi, Kyung-Chul; Jeung, Eui-Bae

    2016-07-12

    2,4,6-Tribromophenol (TBP) is a brominated flame retardant (BFR). Based on its affinity for transthyretin, TBP could compete with endogenous thyroid hormone. In this study, the effects of TBP on the thyroid hormone system were assessed in mice. Briefly, animals were exposed to 40 and 250 mg/kg TBP. Thyroid hormones were also administered with or without TBP. When mice were treated with TBP, deiodinase 1 (Dio1) and thyroid hormone receptor β isoform 2 (Thrβ2) decreased in the pituitary gland. The levels of deiodinase 2 (Dio2) and growth hormone (Gh) mRNA increased in response to 250 mg/kg of TBP, and the relative mRNA level of thyroid stimulating hormone β (Tshβ) increased in the pituitary gland. Dio1 and Thrβ1 expression in the liver were not altered, while Dio1 decreased in response to co-treatment with thyroid hormones. The thyroid gland activity decreased in response to TBP, as did the levels of free triiodothyronine and free thyroxine in serum. Taken together, these findings indicate that TBP can disrupt thyroid hormone homeostasis and the presence of TBP influenced thyroid actions as regulators of gene expression. These data suggest that TBP interferes with thyroid hormone systems.

  4. The role of metabolism in the toxicity of 2,4,6-trinitrotoluene and its degradation products to the aquatic amphipod Hyalella azteca.

    Science.gov (United States)

    Sims, Jerre G; Steevens, Jeffery A

    2008-05-01

    Toxicological data on the effects of the explosive, 2,4,6-trinitrotoluene (TNT), and its degradation products suggests an unpredictable toxicological response in aquatic organisms. Several studies suggest TNT becomes more toxic as it degrades while others suggest TNT becomes less toxic. This study focused on the toxicity of TNT and several degradation products as well as the role of oxidative metabolism in the toxicity of TNT. The aquatic invertebrate Hyalella azteca was used to evaluate the toxicity of TNT and four of its degradation products. The most reduced degradation product, 2,4-diamino, 6-nitrotoluene (2,4-DANT) was the most toxic to H. azteca. However, 2,4-DANT was only a minor metabolite in H. azteca. The influence of metabolism on the toxicokinetics of TNT was assessed indirectly through the use of a CYP450 inducer and inhibitor. Treatment of organisms with beta-napthoflavone (BNF), a CYP450 inducer, increased the toxicity of TNT and increased the rate of elimination and metabolism of TNT. Similar to BNF, organisms treated with clotrimazole (CTZ), a CYP450 inhibitor, resulted in increased toxicity and TNT metabolism. It is likely the ability to metabolize or bioactivate TNT to a more reactive intermediate plays a significant role in the sensitivity of organisms to TNT.

  5. Enhanced AOX accumulation and aquatic toxicity during 2,4,6-trichlorophenol degradation in a Co(II)/peroxymonosulfate/Cl⁻ system.

    Science.gov (United States)

    Fang, Changling; Xiao, Dongxue; Liu, Wenqian; Lou, Xiaoyi; Zhou, Jun; Wang, Zhaohui; Liu, Jianshe

    2016-02-01

    Chloride ion is known to affect on degradation kinetics in different ways during HO· and SO4(·-)-based advanced oxidation processes (AOPs). However, its effect on absorbable organic halogen (AOX) evolution and acute toxicity of treated water remains unknown, despite the importance of the two parameters in evaluating the applicability of AOPs. In the present study, Co/peroxymonosulfate (Co/PMS) and UV/hydrogen peroxide (UV/H2O2) treatment of 2,4,6-trichlorophenol was compared in terms of AOX formation, chlorinated byproducts and acute toxicity. Both Co/PMS and UV/H2O2 systems were more reactive under acidic conditions, resulting in elevated AOX levels when compared with those at neutral pH. The presence of high levels of chloride led to an accumulation and increase of AOX in the Co/PMS system. The toxicity of chlorinated byproducts was evaluated using Photobacterium phosphoreum, and the results revealed a sharp increase in acute toxicity of Co/PMS reaction solutions on addition of chloride ion. However, addition of Cl(-) had no apparent impact on AOX and toxicity of UV/H2O2 reaction solutions. These findings may have significant technical implications for selecting feasible technologies to treat high salinity wastewater. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. Systems Biology Approach to Bioremediation of Nitroaromatics: Constraint-Based Analysis of 2,4,6-Trinitrotoluene Biotransformation by Escherichia coli.

    Science.gov (United States)

    Iman, Maryam; Sobati, Tabassom; Panahi, Yunes; Mobasheri, Meysam

    2017-08-14

    Microbial remediation of nitroaromatic compounds (NACs) is a promising environmentally friendly and cost-effective approach to the removal of these life-threating agents. Escherichia coli ( E. coli ) has shown remarkable capability for the biotransformation of 2,4,6-trinitro-toluene (TNT). Efforts to develop E. coli as an efficient TNT degrading biocatalyst will benefit from holistic flux-level description of interactions between multiple TNT transforming pathways operating in the strain. To gain such an insight, we extended the genome-scale constraint-based model of E. coli to account for a curated version of major TNT transformation pathways known or evidently hypothesized to be active in E. coli in present of TNT. Using constraint-based analysis (CBA) methods, we then performed several series of in silico experiments to elucidate the contribution of these pathways individually or in combination to the E. coli TNT transformation capacity. Results of our analyses were validated by replicating several experimentally observed TNT degradation phenotypes in E. coli cultures. We further used the extended model to explore the influence of process parameters, including aeration regime, TNT concentration, cell density, and carbon source on TNT degradation efficiency. We also conducted an in silico metabolic engineering study to design a series of E. coli mutants capable of degrading TNT at higher yield compared with the wild-type strain. Our study, therefore, extends the application of CBA to bioremediation of nitroaromatics and demonstrates the usefulness of this approach to inform bioremediation research.

  7. A New Indirect Spectrofluorimetric Method for Determination of Ascorbic Acid with 2,4,6-Tripyridyl-S-Triazine in Pharmaceutical Samples

    Directory of Open Access Journals (Sweden)

    Lejla Klepo

    2016-01-01

    Full Text Available Ascorbic acid (AA is a water-soluble vitamin which shows no fluorescence. However, in reaction with iron(III, AA is oxidised to dehydroascorbic acid and iron(III is reduced to iron(II which forms a complex with 2,4,6-tripyridyl-S-triazine (TPTZ in buffered medium. The relative fluorescence intensity of the resulting Fe(TPTZ22+ complex can be measured at excitation and emission wavelengths of 393 and 790 nm, respectively. Based on this data, a new indirect spectrofluorimetric method for the determination of AA in pharmaceutical samples was proposed. Influence of the reaction conditions, such as acidity of acetic buffer, concentration of TPTZ and iron(III, reaction time and instrumental parameters were investigated in detail. The linear range was from 5.4 × 10−4 to 5.4 × 10−6 mol·L−1 (R = 0.9971. The LOD was 7.7 × 10−7 mol·L−1 and LOQ was 2.3 × 10−4 mol·L−1. Fourteen pharmaceutical samples containing various amounts of AA were analysed. Influences of potential interfering substances were also examined. Analysis of commercial pharmaceutical formulations showed good correlation with the nominal values given by the manufacturers and with the results obtained by a titration method. The proposed method can be applied in routine quality control in the pharmaceutical industry due to its sensitivity, simplicity, selectivity and low cost.

  8. Quasi-monoenergetic neutron energy spectra for 246 and 389 MeV (7)Li(p,n) reactions at angles from 0 degrees to 300 degrees

    CERN Document Server

    Iwamoto, Y; Nakamura, T; Nakashima, H; Mares, V; Itoga, T; Matsumoto, T; Nakane, Y; Feldbaumer, E; Jaegerhofer, L; Pioch, C; Tamii, A; Satoh, D; Masuda, A; Sato, T; Iwase, H; Yashima, H; Nishiyama, J; Hagiwara, M; Hatanaka, K; Sakamoto, Y

    2011-01-01

    The authors measured the neutron energy spectra of a quasi-monoenergetic (7)Li(p,n) neutron source with 246 and 389 MeV protons set at seven angles (0 degrees, 2.5 degrees, 5 degrees, 10 degrees, 15 degrees, 20 degrees and 30 degrees), using a time-of-flight (TOF) method employing organic scintillators NE213 at the Research Center for Nuclear Physics (RCNP) of Osaka University. The energy spectra of the source neutrons were precisely deduced down to 2 MeV at 0 degrees and 10 MeV at other angles. The cross-sections of the peak neutron production reaction at 0 degrees were on the 35-40 mb line of other experimental data, and the peak neutron angular distribution agreed well with the Taddeucci formula. Neutron energy spectra below 100 MeV at all angles were comparable, but the shapes of the continuum above 150 MeV changed considerably with the angle. In order to consider the correction required to derive the response in the peak region from the measured total response for high-energy neutron monitors such as DAR...

  9. pH-Stable Eu- and Tb-organic-frameworks mediated by an ionic liquid for the aqueous-phase detection of 2,4,6-trinitrophenol (TNP).

    Science.gov (United States)

    Qin, Jian-Hua; Wang, Hua-Rui; Han, Min-Le; Chang, Xin-Hong; Ma, Lu-Fang

    2017-11-14

    Two pH-stable luminescent metal-organic frameworks (LMOFs), {[Ln 2 (L) 2 (OH)(HCOO)]·[H 2 O]} n (Ln = Eu 1, Tb 2), based on a new π-conjugated organic building block involving both carboxylate and terpyridine groups were rationally synthesized under a combination of hydro/solvothermal and ionothermal conditions (H 2 L = 4'-(4-(3,5-dicarboxylphenoxy)phenyl)-4,2':6',4''-terpyridine). 1 and 2 are isostructural and feature noninterpenetrated open 3D condensed frameworks constructed by rod-shaped lanthanide-carboxylate building units. Their excellent water-stability and pH-stability allow them to be used in aquatic systems. 1 and 2 both exhibit selective and sensitive aqueous phase detection of the well-known nitroaromatic explosive environmental pollutant 2,4,6-trinitrophenol (TNP), which is highly desirable for practical applications. The presence of a free pyridine group on the LMOF particle surface was strategically utilized for the purpose of exclusive TNP-sensing.

  10. 2-Fold Interpenetrating Bifunctional Cd-Metal-Organic Frameworks: Highly Selective Adsorption for CO2and Sensitive Luminescent Sensing of Nitro Aromatic 2,4,6-Trinitrophenol.

    Science.gov (United States)

    Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Zheng, Sheng-Run; Yu, Ying; Fan, Yan-Zhong; Xu, Xian-Yan; Si, Li-Ping

    2017-02-08

    A robust primitive diamond-type topology 3-D metal-organic framework (MOF) of {[Cd 4 (hbhdpy) 2 (bdc) 3 (DMA) 2 ]·(H 2 O) 4 } n (1, DMA = N,N-dimethylacetamide) was constructed from the planar secondary building units of the dinuclear cadmium clusters, Cd 2 (μ 2 -O) 2 , and two linear organic linkers of the new multidentate Schiff base of 4-(2-hydroxy-3-methoxy-benzyli-denehydrazino-carbonyl)-N-pyridin-4-yl-benzamide (Hhbhdpy) through the solvothermal reaction. 1 presents a 2-fold interpenetrating network along with confined narrow channels and rich acylamide groups as well as potential metal open sites for excellent selective CO 2 uptake over CH 4 /N 2 and high luminescent response for 2,4,6-trinitrophenol (TNP) in DMA solution under ambient conditions. With 2-amino-1,4-dicarboxy-benzene (H 2 bdc-NH 2 ) replacing H 2 bdc, an amine-functionalized MOF of {[Cd 4 (hbhdpy) 2 (bdc-NH 2 ) 3 (DMA) 2 ]·(H 2 O) 4 } n (1-NH 2 ) as an isomorphism of 1, was synthesized under the same reaction conditions. Compared with 1, the corresponding bifunctional features of 1-NH 2 is more obvious. To the best of our knowledge, it is the first reported interpenetrating Cd-MOFs with highly sensitive luminescence response for TNP molecules combined with excellent selectivity for CO 2 /N 2 and CO 2 /CH 4 .

  11. Fabrication of an SPR Sensor Surface with Antifouling Properties for Highly Sensitive Detection of 2,4,6-Trinitrotoluene Using Surface-Initiated Atom Transfer Polymerization

    Directory of Open Access Journals (Sweden)

    Kiyoshi Toko

    2013-07-01

    Full Text Available In this study, we modified a surface plasmon resonance immunosensor chip with a polymer using surface-initiated atom transfer polymerization (SI-ATRP for the highly sensitive detection of 2,4,6-trinitrotoluene (TNT. To immobilize a TNT analogue on the polymer, mono-2-(methacryloyloxyethylsuccinate (MES, which has a carboxyl group, was used in this study. However, the anti-TNT antibody may adsorb non-specifically on the polymer surface by an electrostatic interaction because MES is negatively charged. Therefore, a mixed monomer with MES and diethylaminoethylmethacrylate (DEAEM, which has a tertiary amino group and is positively charged, was prepared to obtain electroneutrality for suppressing the nonspecific adsorption. The detection of TNT was performed by inhibition assay using the polymer surface. To ensure high sensitivity to TNT, the affinity between the surface and the antibody was optimized by controlling the density of the initiator for ATRP by mixing two types of self-assembled monolayer reagents. As a result, a limit of detection of 5.7 pg/mL (ppt for TNT was achieved using the optimized surface.

  12. 2,4,6-Tribromophenol Interferes with the Thyroid Hormone System by Regulating Thyroid Hormones and the Responsible Genes in Mice

    Directory of Open Access Journals (Sweden)

    Dongoh Lee

    2016-07-01

    Full Text Available 2,4,6-Tribromophenol (TBP is a brominated flame retardant (BFR. Based on its affinity for transthyretin, TBP could compete with endogenous thyroid hormone. In this study, the effects of TBP on the thyroid hormone system were assessed in mice. Briefly, animals were exposed to 40 and 250 mg/kg TBP. Thyroid hormones were also administered with or without TBP. When mice were treated with TBP, deiodinase 1 (Dio1 and thyroid hormone receptor β isoform 2 (Thrβ2 decreased in the pituitary gland. The levels of deiodinase 2 (Dio2 and growth hormone (Gh mRNA increased in response to 250 mg/kg of TBP, and the relative mRNA level of thyroid stimulating hormone β (Tshβ increased in the pituitary gland. Dio1 and Thrβ1 expression in the liver were not altered, while Dio1 decreased in response to co-treatment with thyroid hormones. The thyroid gland activity decreased in response to TBP, as did the levels of free triiodothyronine and free thyroxine in serum. Taken together, these findings indicate that TBP can disrupt thyroid hormone homeostasis and the presence of TBP influenced thyroid actions as regulators of gene expression. These data suggest that TBP interferes with thyroid hormone systems

  13. Preconcentration of Co, Ni, Cd and Zn on naphthalene–2,4,6-trimorpholino-1,3,5-triazin adsorbent and flame atomic absorption determination

    Directory of Open Access Journals (Sweden)

    TAYYEBEH MADRAKIAN

    2010-05-01

    Full Text Available A preconcentration method was developed for the determination of trace amounts of Co, Ni, Cd and Zn by atomic absorption spectrometry. The method is based on the retention of the metal cations by naphthalene–2,4,6-trimorpholino-1,3,5-triazin adsorbent in a column. The adsorbed metals were then eluted from the column with hydrochloric acid and the Co, Ni, Cd and Zn were determined by flame atomic absorption spectrometry. The optimal extraction and elution conditions were studied. The effects of diverse ions on the preconcentration were also investigated. A preconcentration factor of 250 for Co(II, Ni(II and Zn(II, and 400 for Cd(II can easily be achieved. Calibration graphs were obtained and the detection limits of the method for Co(II, Ni(II, Cd(II and Zn(II were 0.51, 0.49, 0.17 and 0.10 ng mL-1, respectively. The relative standard deviations (RSD of 0.37–2.31 % for Co, 0.37–3.73 % for Ni, 2.20–2.40 % for Cd and 1.50–2.56 % for Zn were obtained. The method was also used for the simultaneous preconcentration of these elements and the method was successfully applied to their preconcentration and determination. The method was applied to the determination of Co, Ni, Cd and Zn in several real samples.

  14. Systems Biology Approach to Bioremediation of Nitroaromatics: Constraint-Based Analysis of 2,4,6-Trinitrotoluene Biotransformation by Escherichia coli

    Directory of Open Access Journals (Sweden)

    Maryam Iman

    2017-08-01

    Full Text Available Microbial remediation of nitroaromatic compounds (NACs is a promising environmentally friendly and cost-effective approach to the removal of these life-threating agents. Escherichia coli (E. coli has shown remarkable capability for the biotransformation of 2,4,6-trinitro-toluene (TNT. Efforts to develop E. coli as an efficient TNT degrading biocatalyst will benefit from holistic flux-level description of interactions between multiple TNT transforming pathways operating in the strain. To gain such an insight, we extended the genome-scale constraint-based model of E. coli to account for a curated version of major TNT transformation pathways known or evidently hypothesized to be active in E. coli in present of TNT. Using constraint-based analysis (CBA methods, we then performed several series of in silico experiments to elucidate the contribution of these pathways individually or in combination to the E. coli TNT transformation capacity. Results of our analyses were validated by replicating several experimentally observed TNT degradation phenotypes in E. coli cultures. We further used the extended model to explore the influence of process parameters, including aeration regime, TNT concentration, cell density, and carbon source on TNT degradation efficiency. We also conducted an in silico metabolic engineering study to design a series of E. coli mutants capable of degrading TNT at higher yield compared with the wild-type strain. Our study, therefore, extends the application of CBA to bioremediation of nitroaromatics and demonstrates the usefulness of this approach to inform bioremediation research.

  15. Synthesis, characterization and luminescent properties of europium complexes with 2,4,6-tris-(2-pyridyl)-s-triazine as highly efficient sensitizers.

    Science.gov (United States)

    Kang, Jie; Chen, Ying-Nan; Wang, Ai-Ling; Li, Hai-Yan; Qu, Yan-Rong; Zhang, Hai-Xia; Chu, Hai-Bin; Zhao, Yong-Liang

    2015-12-01

    Using 2,4,6-tris-(2-pyridyl)-s-triazine (TPTZ) as a neutral ligand, and p-hydroxybenzoic acid, terephthalic acid and nitrate as anion ligands, five novel europium complexes have been synthesized. These complexes were characterized using elemental analysis, rare earth coordination titrations, UV/vis absorption spectroscopy and infrared spectroscopy. Luminescence spectra, luminescence lifetime and quantum efficiency were investigated and the mechanism discussed in depth. The results show that the complexes have excellent emission intensities, long emission lifetimes and high quantum efficiencies. The superior luminescent properties of the complexes may be because the triplet energy level of the ligands matches well with the lowest excitation state energy level of Eu(3+). Moreover, changing the ratio of the ligands and metal ions leads to different luminescent properties. Among the complexes, Eu2(TPTZ)2(C8H4O4)(NO3)4(C2H5OH)·H2O shows the strongest luminescence intensity, longest emission lifetime and highest quantum efficiency. Copyright © 2015 John Wiley & Sons, Ltd.

  16. Rotational isomers, spectroscopic (FT-IR, FT-Raman) studies and quantum chemical calculations on 2,4,6-tris(dimethylaminomethyl) phenol.

    Science.gov (United States)

    Karthick, T; Balachandran, V; Perumal, S; Lakshmi, A

    2013-09-01

    In this work, the spectroscopic characterization of 2,4,6-tris(dimethylaminomethyl) phenol; a novel promoter factor for DNA has been studied primarily. The FT-IR (4000-400 cm(-1)) and FT-Raman (3500-100 cm(-1)) spectra have been recorded on the solid phase of the title molecule. The spectroscopic signature of the title molecule has been found by comparing experimental FT-IR, FT-Raman spectra with the theoretical IR and Raman spectra of the stable isomer geometry at density functional theory (DFT) method with 6-311++G(d,p) basis set. Further, the vibrational assignments were performed on the basis of potential energy distribution (PED). The natural atomic orbital and natural population analysis performed in this study ensures us to know about the delocalization of charge and electron density of atoms within the molecule. Analysis of natural bond orbitals (NBOs) and HOMO-LUMO energy gap of the compound provides information about its chemical stability and intramolecular charge transfer properties. In addition, the reacting electrophilic and nucleophilic sites of the molecule were predicted with the help of molecular electrostatic potential (MEP) surface analysis. Moreover, the intensity of molecular vibrations at different temperatures were examined by applying thermo-chemical analysis. To investigate the solvent effect, the polarizable continuum model was used and the allowed transitions between various HOMO and LUMO levels were found. Copyright © 2013 Elsevier B.V. All rights reserved.

  17. Mechanisms and Kinetics of Alkaline Hydrolysis of the Energetic Nitroaromatic Compounds 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitroanisole (DNAN)

    Energy Technology Data Exchange (ETDEWEB)

    Salter-Blanc, Alexandra J.; Bylaska, Eric J.; Ritchie, Julia J.; Tratnyek, Paul G.

    2013-07-02

    The environmental impacts of energetic compounds can be minimized through the design and selection of new energetic materials with favorable fate properties. Building predictive models to inform this process, however, is difficult because of uncertainties and complexities in some major fate-determining transformation reactions such as the alkaline hydrolysis of energetic nitroaromatic compounds (NACs). Prior work on the mechanisms of the reaction between NACs and OH– has yielded inconsistent results. In this study, the alkaline hydrolysis of 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole (DNAN) was investigated with coordinated experimental kinetic measurements and molecular modeling calculations. For TNT, the results suggest reversible formation of an initial product, which is likely either a Meisenheimer complex or a TNT anion formed by abstraction of a methyl proton by OH–. For DNAN, the results suggest that a Meisenheimer complex is an intermediate in the formation of 2,4-dinitrophenolate. Despite these advances, the remaining uncertainties in the mechanisms of these reactions—and potential variability between the hydrolysis mechanisms for different NACs—mean that it is not yet possible to generalize the results into predictive models (e.g., quantitative structure–activity relationships, QSARs) for hydrolysis of other NACs.

  18. Development of a microwave assisted extraction method for the analysis of 2,4,6-trichloroanisole in cork stoppers by SIDA-SBSE-GC-MS.

    Science.gov (United States)

    Vestner, Jochen; Fritsch, Stefanie; Rauhut, Doris

    2010-02-15

    The aim of this research work was focused on the replacement of the time-consuming soaking of cork stoppers which is mainly used as screening method for cork lots in connection with sensory analysis and/or analytical methods to detect releasable 2,4,6-trichloroanisole (TCA) of natural cork stoppers. Releasable TCA from whole cork stoppers was analysed with the application of a microwave assisted extraction method (MAE) in combination with stir bar sorptive extraction (SBSE). The soaking of corks (SOAK) was used as a reference method to optimise MAE parameters. Cork lots of different quality and TCA contamination levels were used to adapt MAE. Pre-tests indicated that an MAE at 40 degrees C for 120 min with 90 min of cooling time are suitable conditions to avoid an over-extraction of TCA of low and medium tainted cork stoppers in comparison to SOAK. These MAE parameters allow the measuring of almost the same amounts of releasable TCA as with the application of the soaking procedure in the relevant range (SIDA) was applied to optimise quantification of the released TCA with deuterium-labelled TCA (TCA-d(5)) using a time-saving GC-MS technique in single ion monitoring (SIM) mode. The developed MAE method allows the measuring of releasable TCA from the whole cork stopper under improved conditions and in connection with a low use of solvent and a higher sample throughput. Copyright 2009 Elsevier B.V. All rights reserved.

  19. Tracing the cycling and fate of the explosive 2,4,6-trinitrotoluene in coastal marine systems with a stable isotopic tracer, 15N-[TNT

    Science.gov (United States)

    Smith, Richard W.; Vlahos, Penny; Böhlke, John Karl; Ariyarathna, Thivanka; Ballentine, Mark; Cooper, Christopher; Fallis, Stephen; Groshens, Thomas J.; Tobias, Craig

    2015-01-01

    2,4,6-Trinitrotoluene (TNT) has been used as a military explosive for over a hundred years. Contamination concerns have arisen as a result of manufacturing and use on a large scale; however, despite decades of work addressing TNT contamination in the environment, its fate in marine ecosystems is not fully resolved. Here we examine the cycling and fate of TNT in the coastal marine systems by spiking a marine mesocosm containing seawater, sediments, and macrobiota with isotopically labeled TNT (15N-[TNT]), simultaneously monitoring removal, transformation, mineralization, sorption, and biological uptake over a period of 16 days. TNT degradation was rapid, and we observed accumulation of reduced transformation products dissolved in the water column and in pore waters, sorbed to sediments and suspended particulate matter (SPM), and in the tissues of macrobiota. Bulk δ15N analysis of sediments, SPM, and tissues revealed large quantities of 15N beyond that accounted for in identifiable derivatives. TNT-derived N was also found in the dissolved inorganic N (DIN) pool. Using multivariate statistical analysis and a 15N mass balance approach, we identify the major transformation pathways of TNT, including the deamination of reduced TNT derivatives, potentially promoted by sorption to SPM and oxic surface sediments.

  20. DECHLORINATION OF 2,4,6-TRICHLOROPHENOL BY FREE AND IMMOBILIZED LACCASE FROM TRAMETES VERSICOLOR IN A LAB SCALE BIOREACTOR Arzu ÜNAL, Ahmet ÇABUK, Nazif KOLONKAYA

    Directory of Open Access Journals (Sweden)

    Nazif KOLANKAYA

    2011-08-01

    Full Text Available Detoxification of a chlorinated phenolic compound, 2,4,6- trichlorophenol through treatment with laccase enzyme produced by a white rot fungus, Trametes versicolor was investigated. Enzymaticdechlorination experiments by using free and immobilized laccase have been performed in a lab scale bioreactor. Chlorine ion and dissolved oxygen electrodes mounted to the bioreactor were used continuouslyto detect the profiles of chlorine ions and oxygen consumption, respectively, in reaction medium. The maximum dechlorination activity of laccase for free and immobilized form was determined as 160 μM of substrate concentration at pH 5.0, 25 °C, and 30 min of incubation time. Also, GC/MS analyses of enzymatic degradation products indicated that chlorine removal was a result of degradation of 2,4,6- trichlorophenol by the laccase under the determined optimum conditions.

  1. Self-assembly of novel supramolecular silver(I) compound based on mixed ligands bipy/TST3- H3TST=2,4,6-tris (4-sulfophenylamino)-1,3,5-triazine

    NARCIS (Netherlands)

    Yu, Yunfang; Wei, Yongqin; Broer, Ria; Wu, Kechen

    2007-01-01

    The novel supramolecular silver(I) compound with formula [Ag-6(TST)(2)(bipy)(6)(H2O)(2)](n) center dot 3nH(2)O (1) based on assembly of Ag(I) and mixed ligand bipy/TST3-, bipy = 2,2'-bipyridine, H3TST = 2,4,6-tris(4-sulfophenylamino)-1,3,5-triazine, has been prepared by hydrothermal method. In the

  2. Simultaneous dispersive liquid-liquid microextraction based on a low-density solvent and derivatization followed by gas chromatography for the simultaneous determination of chloroanisoles and the precursor 2,4,6-trichlorophenol in water samples.

    Science.gov (United States)

    Bai, Xiuzhi; Zhang, Ting; Li, Haipu; Yang, Zhaoguang

    2016-06-01

    Chloroanisoles, particularly 2,4,6-trichloroanisole, are commonly identified as major taste and odor compounds in water. In the present study, a simple and efficient method was established for the simultaneous determination of chloroanisoles and the precursor 2,4,6-trichlorophenol in water by using low-density-solvent-based simultaneous dispersive liquid-liquid microextraction and derivatization followed by gas chromatography with electron capture detection. 2,4-Dichloroanisole, 2,6-dichloroanisole, 2,4,6-trichloroanisole, 2,3,4-trichloroanisole, and 2,3,6-trichloroanisole were the chloroanisoles evaluated. Several important parameters of the extraction-derivatization procedures, including the types and volumes of extraction solvent and disperser solvent, concentrations of derivatization agent and base, salt addition, extraction-derivatization time, and temperature were optimized. Under the optimized conditions (80 μL of isooctane as extraction solvent, 500 μL of methanol as disperser solvent, 60 μL of acetic anhydride as derivatization agent, 0.75% of Na2 CO3 addition w/v, extraction-derivatization temperature of 25°C, without salt addition), a good linearity of the calibration curve was observed by the square of correlation coefficients (R(2) ) ranging from 0.9936 to 0.9992. Repeatability and reproducibility of the method were < 4.5% and <7.3%, respectively. Recovery rates ranged from 85.2 to 101.4%, and limits of detection ranged from 3.0 to 8.7 ng/L. The proposed method was applied successfully for the determination of chloroanisoles and 2,4,6-trichlorophenol in water samples. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Human Cell Line Activation Test of the Novel Energetics 2,6-pyrazinediamine 3,5-dinitro 1 -oxide (LLM-105) and 2,4,6-trinitro-3-bromoanisole (TNBA)

    Science.gov (United States)

    2017-11-06

    Public Health Center, Toxicology Directorate: Aberdeen Proving Ground, MD. 32. USACHPPM., MCHB-CG-QSO Good Laboratory Practice (GLP) Policy - Policy...pyrazinediamine 3,5-dinitro 1 –oxide (LLM-105) and 2,4,6-trinitro-3-bromoanisole (TNBA) Prepared by: Emily Reinke, Ph.D. Health Effects Division...Toxicology Directorate Army Public Health Center ARIMS designation: 500c Use of trademarked name(s) does not imply endorsement by the U.S

  4. In Vitro Drug Combination Studies of Letermovir (AIC246, MK-8228) with Approved Anti-Human Cytomegalovirus (HCMV) and Anti-HIV Compounds in Inhibition of HCMV and HIV Replication

    OpenAIRE

    Wildum, Steffen; Zimmermann, Holger; Lischka, Peter

    2015-01-01

    Despite modern prevention and treatment strategies, human cytomegalovirus (HCMV) remains a common opportunistic pathogen associated with serious morbidity and mortality in immunocompromised individuals, such as transplant recipients and AIDS patients. All drugs currently licensed for the treatment of HCMV infection target the viral DNA polymerase and are associated with severe toxicity issues and the emergence of drug resistance. Letermovir (AIC246, MK-8228) is a new anti-HCMV agent in clinic...

  5. 2,4,6-Tris(isopropylamino)-1,3,5-trinitrobenzene : Probing the Impact of Crystal Packing Forces in the Dimorphs and the Cocrystals–Experimental and Theoretical Study

    OpenAIRE

    El-Derby, Soheir

    2004-01-01

    We attempted to obtain a large amount of solvates of 2,4,6-tris(isopropylamino)-1,3,5-trinitrobezene 1 and tried to embark on a systematic study (both experimentally and theoretically) of conformational effects of crystal packing. Here we describe their investigation by X-ray diffraction, thermal analysis, and computational methods (force field and ab-initio). The crystal and molecular structures were determined by X-ray diffraction. For thermal analysis investigations a combination of Diffe...

  6. COD, 2,4,6-trichlorophenol (TCP) and toxicity removal from synthetic wastewater in a rotating perforated-tubes biofilm reactor

    Energy Technology Data Exchange (ETDEWEB)

    Eker, Serkan [Department of Environmental Engineering, Dokuz Eylul University, Buca, Izmir (Turkey); Kargi, Fikret [Department of Environmental Engineering, Dokuz Eylul University, Buca, Izmir (Turkey)], E-mail: fikret.kargi@deu.edu.tr

    2008-11-30

    Synthetic wastewater containing different concentrations of 2,4,6-trichlorophenol (TCP) was biologically treated using a novel rotating perforated-tubes biofilm reactor (RTBR) for chemical oxygen demand (COD), TCP and toxicity removal. Performance of the reactor was investigated as function of major operating variables such as the feed TCP and COD concentrations and A/Q (biofilm surface area/feed flow rate) ratio. A Box-Behnken statistical experiment design method was used by considering the feed TCP (0-400 mg L{sup -1}), COD (1000-4000 mg L{sup -1}) and A/Q ratio (23-163 m{sup 2} d m{sup -3}) as the independent variables while percent TCP, COD, and toxicity removals were the objective functions. The results were correlated with the quadratic model since this was found to be the most suitable one. Response function coefficients were determined by correlating the experimental data with the response function. Percent TCP, COD and toxicity removals estimated from the response functions were in good agreement with the experimental results. TCP, COD and toxicity removals increased with increasing A/Q ratio and decreasing feed TCP concentrations. Percent toxicity removals were always lower than TCP removals indicating presence or formation of some toxic by products from TCP biodegradation. For the feed TCP of 400 mg L{sup -1}, the optimum conditions resulting in maximum COD (99%), TCP (100%) and toxicity (93%) removals were A/Q ratio of nearly 165 m{sup 2} d m{sup -3} and feed COD of 2985 mg L{sup -1}.

  7. The Role of Oxophytodienoate Reductases in the Detoxification of the Explosive 2,4,6-Trinitrotoluene by Arabidopsis1[W][OA

    Science.gov (United States)

    Beynon, Emily R.; Symons, Zoe C.; Jackson, Rosamond G.; Lorenz, Astrid; Rylott, Elizabeth L.; Bruce, Neil C.

    2009-01-01

    The explosive 2,4,6-trinitrotoluene (TNT) is a significant environmental pollutant that is both toxic and recalcitrant to degradation. Phytoremediation is being increasingly proposed as a viable alternative to conventional remediation technologies to clean up explosives-contaminated sites. Despite the potential of this technology, relatively little is known about the innate enzymology of TNT detoxification in plants. To further elucidate this, we used microarray analysis to identify Arabidopsis (Arabidopsis thaliana) genes up-regulated by exposure to TNT and found that the expression of oxophytodienoate reductases (OPRs) increased in response to TNT. The OPRs share similarity with the Old Yellow Enzyme family, bacterial members of which have been shown to transform explosives. The three predominantly expressed forms, OPR1, OPR2, and OPR3, were recombinantly expressed and affinity purified. Subsequent biochemical characterization revealed that all three OPRs are able to transform TNT to yield nitro-reduced TNT derivatives, with OPR1 additionally producing the aromatic ring-reduced products hydride and dihydride Meisenheimer complexes. Arabidopsis plants overexpressing OPR1 removed TNT more quickly from liquid culture, produced increased levels of transformation products, and maintained higher fresh weight biomasses than wild-type plants. In contrast, OPR1,2 RNA interference lines removed less TNT, produced fewer transformation products, and had lower biomasses. When grown on solid medium, two of the three OPR1 lines and all of the OPR2-overexpressing lines exhibited significantly enhanced tolerance to TNT. These data suggest that, in concert with other detoxification mechanisms, OPRs play a physiological role in xenobiotic detoxification. PMID:19605548

  8. Effects of sinomenine on the expression of microRNA-155 in 2,4,6-trinitrobenzenesulfonic acid-induced colitis in mice.

    Directory of Open Access Journals (Sweden)

    Qiao Yu

    Full Text Available BACKGROUND: Sinomenine, a pure alkaloid isolated in Chinese medicine from the root of Sinomenium acutum, has been demonstrated to have anti-inflammatory and immunosuppressive effects. MicroRNAs (miRNAs are gradually being recognized as critical mediators of disease pathogenesis via coordinated regulation of molecular effector pathways. METHODOLOGY/FINDINGS: After colitis was induced in mice by instillation of 5% (w/v 2,4,6-trinitrobenzenesulfonic acid (TNBS, sinomenine at a dose of 100 or 200 mg/kg was orally administered once daily for 7 days. We evaluated body weight, survival rate, diarrhea score, histological score and myeloperoxidase (MPO activity. The mRNA and protein expression levels of miR-155, c-Maf, TNF-α and IFN-γ were determined by quantitative RT-PCR and immunohistochemistry, respectively. Sinomenine (100 or 200 mg/kg-treated mice with TNBS-induced colitis were significantly improved in terms of body weight, survival rate, diarrhea score, histological score and MPO activity compared with untreated mice. Both dosages of sinomenine significantly decreased the mRNA and protein expression levels of c-Maf, TNF-α and IFN-γ, which elevated in TNBS-induced colitis. Furthermore, sinomenine at a dose of 200 mg/kg significantly decreased the level of miR-155 expression by 71% (p = 0.025 compared with untreated TNBS-induced colitis in mice. CONCLUSIONS/SIGNIFICANCE: Our study evaluated the effects and potential mechanisms of sinomenine in the anti-inflammatory response via miRNA-155 in mice with TNBS-induced colitis. Our findings suggest that sinomenine has anti-inflammatory effects on TNBS-induced colitis by down-regulating the levels of miR-155 and several related inflammatory cytokines.

  9. Development of a chemiluminescence-based quantitative lateral flow immunoassay for on-field detection of 2,4,6-trinitrotoluene.

    Science.gov (United States)

    Mirasoli, Mara; Buragina, Angela; Dolci, Luisa Stella; Guardigli, Massimo; Simoni, Patrizia; Montoya, Angel; Maiolini, Elisabetta; Girotti, Stefano; Roda, Aldo

    2012-04-06

    Simple, rapid and highly sensitive assays, possibly allowing on-site analysis, are required in the security and forensic fields or to obtain early signs of environmental pollution. Several bioanalytical methods and biosensors based on portable devices have been developed for this purpose. Among them, Lateral Flow ImmunoAssays (LFIAs) offer the advantages of rapidity and ease of use and, thanks to the high specificity of antigen-antibody binding, allow greatly simplifying and reducing sample pre-analytical treatments. However, LFIAs usually employ colloidal gold or latex beads as labels and they rely on the formation of colored bands visible by the naked eye. With this assay format, only qualitative or semi-quantitative information can be obtained and low sensitivity is achieved. Recently, the use of enzyme-catalyzed chemiluminescence detection in LFIA has been proposed to overcome these problems. In this work, we describe the development of a quantitative CL-LFIA assay for the detection of 2,4,6-trinitrotoluene (TNT) in real samples. Thanks to the use of a portable imaging device for CL signal measurement based on a thermoelectrically cooled CCD camera, the analysis could be performed directly on-field. A limit of detection of 0.2 μg mL(-1) TNT was obtained, which is five times lower than that obtained with a previously described colloidal gold-based LFIA developed employing the same immunoreagents. The dynamic range of the assay extended up to 5 μg mL(-1) TNT and recoveries ranging from 97% to 111% were obtained in the analysis of real samples (post blast residues obtained from controlled explosion). Copyright © 2012 Elsevier B.V. All rights reserved.

  10. Purifying, cloning and characterizing a novel dehalogenase from Bacillus sp. GZT to enhance the biodegradation of 2,4,6-tribromophenol in water.

    Science.gov (United States)

    Liang, Zhishu; Li, Guiying; An, Taicheng

    2017-06-01

    2,4,6-Tribromophenol (TBP), an intermediate of brominated flame retardants, can easily release to environment and recalcitrant to degradation. Previously, Bacillus sp. GZT, a pure aerobic strain capable of simultaneously debrominating and mineralizing TBP, was successfully isolated by us. To further obtain a practical application and dig up its TBP degradation mechanism, a total of 46.7-fold purification of a novel dehalogenase with a final specific activity of 18.9 U mg-1 and a molecular mass of 63.4 kDa was achieved. Under optimal conditions (35 °C and 200 rpm), up to 80% degradation efficiencies were achieved within 120 min. Adding H2O2, NADPH, Mn2+ and Mg2+ promoted enzyme reaction effectively; while EDTA, methyl viologen, Ni2+, Cu2+, Ca2+ and Fe2+ strongly inhibited reaction activities. The debromination of TBP was catalyzed by the enzyme at a Km of 78 μM and a Vmax of 0.65 min-1 mg protein-1, which indicated that this dehalogenase could specifically eliminate TBP with a high efficiency and stability. Based on MALDI-TOF/TOF analysis, the dehalogenase shared 98% identity with peptide ABC transporter substrate-binding protein. One open reading frame (ORF) encoding this peptide was found in Strain GZT genome, subjected to clone and expressed in Escherichia coli (E. coli) to characterize the encoding gene. Result showed that this recombinant strain could also remove as similar amount of TBP as Bacillus sp. GZT under the identical condition. Based on these results, we suggest that this newly-isolated TBP dehalogenase highlights a new approach for remediating TBP pollution. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Dummy molecularly imprinted polymers-capped CdTe quantum dots for the fluorescent sensing of 2,4,6-trinitrotoluene.

    Science.gov (United States)

    Xu, Shoufang; Lu, Hongzhi; Li, Jinhua; Song, Xingliang; Wang, Aixiang; Chen, Lingxin; Han, Shaobo

    2013-08-28

    Molecularly imprinted polymers (MIPs) with trinitrophenol (TNP) as a dummy template molecule capped with CdTe quantum dots (QDs) were prepared using 3-aminopropyltriethoxy silane (APTES) as the functional monomer and tetraethoxysilane (TEOS) as the cross linker through a seed-growth method via a sol-gel process (i.e., DMIP@QDs) for the sensing of 2,4,6-trinitrotoluene (TNT) on the basis of electron-transfer-induced fluorescence quenching. With the presence and increase of TNT in sample solutions, a Meisenheimer complex was formed between TNT and the primary amino groups on the surface of the QDs. The energy of the QDs was transferred to the complex, resulting in the quenching of the QDs and thus decreasing the fluorescence intensity, which allowed the TNT to be sensed optically. DMIP@QDs generated a significantly reduced fluorescent intensity within less than 10 min upon binding TNT. The fluorescence-quenching fractions of the sensor presented a satisfactory linearity with TNT concentrations in the range of 0.8-30 μM, and its limit of detection could reach 0.28 μM. The sensor exhibited distinguished selectivity and a high binding affinity to TNT over its possibly competing molecules of 2,4-dinitrophenol (DNP), 4-nitrophenol (4-NP), phenol, and dinitrotoluene (DNT) because there are more nitro groups in TNT and therefore a stronger electron-withdrawing ability and because it has a high similarity in shape and volume to TNP. The sensor was successfully applied to determine the amount of TNT in soil samples, and the average recoveries of TNT at three spiking levels ranged from 90.3 to 97.8% with relative standard deviations below 5.12%. The results provided an effective way to develop sensors for the rapid recognition and determination of hazardous materials from complex matrices.

  12. Highly sensitive determination of 2,4,6-trinitrotoluene and related byproducts using a diol functionalized column for high performance liquid chromatography.

    Directory of Open Access Journals (Sweden)

    Burcu Gumuscu

    Full Text Available In this work, a new detection method for complete separation of 2,4,6-trinitrotoluene (TNT; 2,4-dinitrotoluene (2,4-DNT; 2,6-dinitrotoluene (2,6-DNT; 2-aminodinitrotoluene (2-ADNT and 4-aminodinitrotoluene (4-ADNT molecules in high-performance liquid-chromatography (HPLC with UV sensor has been developed using diol column. This approach improves on cost, time, and sensitivity over the existing methods, providing a simple and effective alternative. Total analysis time was less than 13 minutes including column re-equilibration between runs, in which water and acetonitrile were used as gradient elution solvents. Under optimized conditions, the minimum resolution between 2,4-DNT and 2,6-DNT peaks was 2.06. The recovery rates for spiked environmental samples were between 95-98%. The detection limits for diol column ranged from 0.78 to 1.17 µg/L for TNT and its byproducts. While the solvent consumption was 26.4 mL/min for two-phase EPA and 30 mL/min for EPA 8330 methods, it was only 8.8 mL/min for diol column. The resolution was improved up to 49% respect to two-phase EPA and EPA 8330 methods. When compared to C-18 and phenyl-3 columns, solvent usage was reduced up to 64% using diol column and resolution was enhanced approximately two-fold. The sensitivity of diol column was afforded by the hydroxyl groups on polyol layer, joining the formation of charge-transfer complexes with nitroaromatic compounds according to acceptor-donor interactions. Having compliance with current requirements, the proposed method demonstrates sensitive and robust separation.

  13. Association between Exposure to Benzodiazepines and Related Drugs and Survivorship of Total Hip Replacement in Arthritis: A Population-Based Cohort Study of 246,940 Patients.

    Science.gov (United States)

    Beziz, Dan; Colas, Sandrine; Collin, Cédric; Dray-Spira, Rosemary; Zureik, Mahmoud

    2016-01-01

    Total hip replacement (THR) is successful in treating hip arthritis. Prosthetic survivorship may depend on the medications taken by the patient; particularly, the role of benzodiazepines and related drugs (Z-drugs) with THR revision has been poorly investigated. Our objective was to compare THR short-term survivorship according to level of exposure to benzodiazepine and Z-drugs. All French patients aged 40 years or older, having undergone primary THR from January 1, 2009, through December 31, 2012, for arthritis according to French national health insurance databases were included in the cohort. Outcome of interest was THR revision, including any surgical procedure in which the implant or any component was changed or removed. Follow-up started the day the primary THR was performed. Observations were right-censored on December 31, 2014, if neither revision nor death had yet occurred. Exposure of interest was the cumulative defined daily doses per day (cDDD/day) of benzodiazepines and Z-drugs dispensed within 6 months before or after inclusion. We defined four exposure groups; cDDD/d = 0: unexposed; 0.38: high exposure. THR survivorship was assessed according to level of exposure to benzodiazepines and Z-drugs in univariate and multivariate Cox models adjusted for patient, THR and implanting center characteristics. The study cohort comprised 246,940 individuals: mean age at baseline, 69.9 years; women, 57.9%; unexposed: 51.7%; low exposure: 16.7%; medium exposure: 15.9%; and high exposure: 15.7%. During the median 45-month follow-up, 9043 individuals underwent prosthetic revision. Adjusted hazard ratios in low, medium and high exposed groups were 1.18 (95%CI, 1.12-1.26; Pbenzodiazepines and Z-drugs is associated with an increased risk of THR revision, with a dose-response relationship. Cautious prescribing might be needed as well as careful history examination and assessment of risk for patients with a hip prosthesis.

  14. Influence of Halogen Substituents on the Catalytic Oxidation of 2,4,6-Halogenated Phenols by Fe(III-Tetrakis(p-hydroxyphenyl porphyrins and Potassium Monopersulfate

    Directory of Open Access Journals (Sweden)

    Seiya Nagao

    2011-12-01

    Full Text Available The influence of halogen substituents on the catalytic oxidation of 2,4,6-trihalogenated phenols (TrXPs by iron(III-porphyrin/KHSO5 catalytic systems was investigated. Iron(III-5,10,15,20-tetrakis(p-hydroxyphenylporphyrin (FeTHP and its supported variants were employed, where the supported catalysts were synthesized by introducing FeTHP into hydroquinone-derived humic acids via formaldehyde poly-condensation. F (TrFP, Cl (TrCP, Br (TrBP and I (TrIP were examined as halogen substituents for TrXPs. Although the supported catalysts significantly enhanced the degradation and dehalogenation of TrFP and TrCP, the oxidation of TrBP and TrIP was not enhanced, compared to the FeTHP catalytic system. These results indicate that the degree of oxidation of TrXPs is strongly dependent on the types of halogen substituent. The order of dehalogenation levels for halogen substituents in TrXPs was F > Cl > Br > I, consistent with their order of electronegativity. The electronegativity of a halogen substituent affects the nucleophilicity of the carbon to which it is attached. The levels of oxidation products in the reaction mixtures were analyzed by GC/MS after extraction with n-hexane. The most abundant dimer product from TrFP via 2,6-difluoroquinone is consistent with a scenario where TrXP, with a more electronegative halogen substituent, is readily oxidized, while less electronegative halogen substituents are oxidized less readily by iron(III-porphyrin/KHSO5 catalytic systems.

  15. Influence of halogen substituents on the catalytic oxidation of 2,4,6-halogenated phenols by Fe(III)-tetrakis(p-hydroxyphenyl) porphyrins and potassium monopersulfate.

    Science.gov (United States)

    Fukushima, Masami; Mizutani, Yusuke; Maeno, Shouhei; Zhu, Qianqian; Kuramitz, Hideki; Nagao, Seiya

    2011-12-22

    The influence of halogen substituents on the catalytic oxidation of 2,4,6-trihalogenated phenols (TrXPs) by iron(III)-porphyrin/KHSO₅ catalytic systems was investigated. Iron(III)-5,10,15,20-tetrakis(p-hydroxyphenyl)porphyrin (FeTHP) and its supported variants were employed, where the supported catalysts were synthesized by introducing FeTHP into hydroquinone-derived humic acids via formaldehyde poly-condensation. F (TrFP), Cl (TrCP), Br (TrBP) and I (TrIP) were examined as halogen substituents for TrXPs. Although the supported catalysts significantly enhanced the degradation and dehalogenation of TrFP and TrCP, the oxidation of TrBP and TrIP was not enhanced, compared to the FeTHP catalytic system. These results indicate that the degree of oxidation of TrXPs is strongly dependent on the types of halogen substituent. The order of dehalogenation levels for halogen substituents in TrXPs was F > Cl > Br > I, consistent with their order of electronegativity. The electronegativity of a halogen substituent affects the nucleophilicity of the carbon to which it is attached. The levels of oxidation products in the reaction mixtures were analyzed by GC/MS after extraction with n-hexane. The most abundant dimer product from TrFP via 2,6-difluoroquinone is consistent with a scenario where TrXP, with a more electronegative halogen substituent, is readily oxidized, while less electronegative halogen substituents are oxidized less readily by iron(III)-porphyrin/KHSO₅ catalytic systems.

  16. Alkaline hydrolysis/polymerization of 2,4,6-Trinitrotoluene:  Characterization of products by 13C and 15N NMR

    Science.gov (United States)

    Thorn, Kevin A.; Thorne, Philip G.; Cox, Larry G.

    2004-01-01

    Alkaline hydrolysis has been investigated as a nonbiological procedure for the destruction of 2,4,6-trinitrotoluene (TNT) in explosives contaminated soils and munitions scrap. Nucleophilic substitutions of the nitro and methyl groups of TNT by hydroxide ion are the initial steps in the alkaline degradation of TNT. Potential applications of the technique include both in situ surface liming and ex situ alkaline treatment of contaminated soils. A number of laboratory studies have reported the formation of an uncharacterized polymeric material upon prolonged treatment of TNT in base. As part of an overall assessment of alkaline hydrolysis as a remediation technique, and to gain a better understanding of the chemical reactions underlying the hydrolysis/polymerization process, the soluble and precipitate fractions of polymeric material produced from the calcium hydroxide hydrolysis of unlabeled and 15N-labeled TNT were analyzed by elemental analysis and 13C and 15N nuclear magnetic resonance spectroscopy. Spectra indicated that reactions leading to polymerization included nucleophilic displacement of nitro groups by hydroxide ion, formation of ketone, carboxyl, alcohol, ether, and other aliphatic carbons, conversion of methyl groups to diphenyl methylene carbons, and recondensation of aromatic amines and reduced forms of nitrite, including ammonia and possibly hydroxylamine, into the polymer. Compared to the distribution of carbons in TNT as 14% sp3- and 86% sp2-hybridized, the precipitate fraction from hydrolysis of unlabeled TNT contained 33% sp3- and 67% sp2-hybridized carbons. The concentration of nitrogen in the precipitate was 64% of that in TNT. The 15N NMR spectra showed that, in addition to residual nitro groups, forms of nitrogen present in the filtrate and precipitate fractions include aminohydroquinone, primary amide, indole, imine, and azoxy, among others. Unreacted nitrite was recovered in the filtrate fraction. The toxicities and susceptibilities to

  17. Role of voltage gated Ca2+ channels in rat visceral hypersensitivity change induced by 2,4,6-trinitrobenzene sulfonic acid.

    Science.gov (United States)

    Qian, Aihua; Song, Dandan; Li, Yong; Liu, Xinqiu; Tang, Dong; Yao, Weiyan; Yuan, Yaozong

    2013-03-28

    Visceral pain is common symptom involved in many gastrointestinal disorders such as inflammatory bowel disease. The underlying molecular mechanisms remain elusive. We investigated the molecular mechanisms and the role for voltage gated calcium channel (VGCC) in the pathogenesis in a rat model of 2,4,6-trinitrobenzenesulfonic acid (TNBS) induced visceral inflammatory hypersensitivity. Using Agilent cDNA arrays, we found 172 genes changed significantly in dorsal root ganglia (DRG) of TNBS treated rats. Among these changed genes, Cav1.2 and Cav2.3 were significantly up-regulated. Then the RT-PCR and Western blot further confirmed the up-regulation of Cav1.2 and Cav2.3. The whole cell patch clamp recording of acutely dissociated colonic specific DRG neurons showed that the peak IBa density was significantly increased in colonic neurons of TNBS treated rats compared with control rats (-127.82 ± 20.82 pA/pF Vs -91.67 ± 19.02 pA/pF, n = 9, *P type of calcium currents with the corresponding selective channel blockers, we found that L-type (-38.56 ± 3.97 pA/pF Vs -25.75 ± 3.35 pA/pF, n = 9, * P type (-13.31 ± 1.36 pA/pF Vs -8.60 ± 1.25 pA/pF, n = 9, * P type antagonist (nimodipine) and R-type antagonist (SNX-482) with intrathecal injection attenuates visceral pain in TNBS induced inflammatory visceral hypersensitivity. Cav1.2 and Cav2.3 in colonic primary sensory neurons play an important role in visceral inflammatory hyperalgesia, which maybe the potential therapeutic targets.

  18. Ocotillol, a Majonoside R2 Metabolite, Ameliorates 2,4,6-Trinitrobenzenesulfonic Acid-Induced Colitis in Mice by Restoring the Balance of Th17/Treg Cells.

    Science.gov (United States)

    Lee, Sang-Yun; Jeong, Jin-Ju; Le, Thi Hong Van; Eun, Su-Hyeon; Nguyen, Minh Duc; Park, Jeong Hill; Kim, Dong-Hyun

    2015-08-12

    In a preliminary experiment, majonoside R2 (MR2), isolated from Vietnamese ginseng (Panax vietnamensis Ha et Grushv.), inhibited differentiation to Th17 cells and was metabolized to ocotillol via pseudoginsenoside RT4 (PRT4) by gut microbiota. Therefore, we examined the inhibitory effects of MR2 and its metabolites PRT4 and ocotillol against Th17 cell differentiation. These ginsenosides significantly suppressed interleukin (IL)-6/tumor growth factor beta-induced differentiation of splenic CD4(+) T cells into Th17 cells and expression of IL-17 in vitro. Among these ginsenosides, ocotillol showed the highest inhibitory effect. We also examined the anti-inflammatory effect of ocotillol in mice with 2,4,6-trinitrobenzenesulfonic acid (TNBS)-induced colitis. Oral administration of ocotillol significantly suppressed TNBS-induced colon shortening, macroscopic score, myeloperoxidase activity, and production of nitric oxide and prostaglandin E2. Ocotillol treatment increased TNBS-suppressed expression of tight junction proteins ZO-1, occludin, and claudin-1 in the colon. Treatment with ocotillol inhibited TNBS-induced expression of tumor necrosis factor (TNF)-α and IL-1β, as well as activation of NF-κB and MAPKs. Moreover, treatment with ocotillol inhibited TNBS- induced differentiation to Th17 cells in the lamina propria of colon, as well as expression of T-bet, RORγt, IL-17, and IL-23. Ocotillol treatment also increased Treg cell differentiation and Foxp3 and IL-10 expression. These findings suggest that orally administered MR2 may be metabolized to ocotillol in the intestine by gut microbiota and the transformed ocotillol may ameliorate inflammatory diseases such as colitis by restoring the balance of Th17/Treg cells.

  19. 238 - 246_Zubair et al.,

    African Journals Online (AJOL)

    pc

    “stone breaker”, “carry me seed” etc. In Nigeria, the plant is called “geron tsuntsaye” (Hausa), “eyin- ... flowers. It is commonly found in forest areas, arid land, savannah areas, leached and exhausted soil in many countries including China, India, Nigeria, Cuba and Philippines amongst others (Burkill, 1994;. Bharatiya, 1992).

  20. Association between Exposure to Benzodiazepines and Related Drugs and Survivorship of Total Hip Replacement in Arthritis: A Population-Based Cohort Study of 246,940 Patients.

    Directory of Open Access Journals (Sweden)

    Dan Beziz

    Full Text Available Total hip replacement (THR is successful in treating hip arthritis. Prosthetic survivorship may depend on the medications taken by the patient; particularly, the role of benzodiazepines and related drugs (Z-drugs with THR revision has been poorly investigated. Our objective was to compare THR short-term survivorship according to level of exposure to benzodiazepine and Z-drugs.All French patients aged 40 years or older, having undergone primary THR from January 1, 2009, through December 31, 2012, for arthritis according to French national health insurance databases were included in the cohort. Outcome of interest was THR revision, including any surgical procedure in which the implant or any component was changed or removed. Follow-up started the day the primary THR was performed. Observations were right-censored on December 31, 2014, if neither revision nor death had yet occurred. Exposure of interest was the cumulative defined daily doses per day (cDDD/day of benzodiazepines and Z-drugs dispensed within 6 months before or after inclusion. We defined four exposure groups; cDDD/d = 0: unexposed; 0.38: high exposure. THR survivorship was assessed according to level of exposure to benzodiazepines and Z-drugs in univariate and multivariate Cox models adjusted for patient, THR and implanting center characteristics.The study cohort comprised 246,940 individuals: mean age at baseline, 69.9 years; women, 57.9%; unexposed: 51.7%; low exposure: 16.7%; medium exposure: 15.9%; and high exposure: 15.7%. During the median 45-month follow-up, 9043 individuals underwent prosthetic revision. Adjusted hazard ratios in low, medium and high exposed groups were 1.18 (95%CI, 1.12-1.26; P<0.001, 1.32 (95%CI, 1.24-1.40; P<0.001 and 1.37 (95%CI, 1.29-1.45; P<0.001, respectively, compared to unexposed.Exposure to benzodiazepines and Z-drugs is associated with an increased risk of THR revision, with a dose-response relationship. Cautious prescribing might be needed as well

  1. The novel isotopically coded short-range photo-reactive crosslinker 2,4,6-triazido-1,3,5-triazine (TATA) for studying protein structures.

    Science.gov (United States)

    Brodie, Nicholas I; Petrotchenko, Evgeniy V; Borchers, Christoph H

    2016-10-21

    Short-distance molecular-modeling constraints are advantageous for elucidating the structures of individual proteins and protein conformational changes. Commonly used amine-reactive crosslinks are relatively long (14Å), partly due to the length of the lysine side-chain, and are sparsely distributed throughout a protein. Short-distance non-specific crosslinkers can provide a larger number of tighter molecular-modeling constraints. Here we describe the use of a short-range homo-trifunctional isotopically-coded non-specific photo-reactive crosslinking reagent, 2,4,6-triazido-1,3,5-triazine (TATA)-(12)C3/(13)C3, for MS-based protein crosslinking studies. Upon activation by 254nm UV light, TATA-(12)C3/(13)C3 generates up to three nitrene radicals capable of non-selective crosslinking at ~5Å. This reagent was validated using cyclohexane, several test peptides, and myoglobin, and was found to react with a large number of amino acids, forming multiple crosslinked products. The myoglobin crosslinks detected by MS agreed with the known structure of myoglobin; arranging the protein's secondary-structure motifs into their correct fold was possible based solely on the constraints imposed by the crosslinks. Finally, TATA was used to crosslink the α-synuclein monomer. The 10 short-distance constraints provided by TATA crosslinking led to an initial model of the molten-globule form of the native α-synuclein monomer; this provides a suggested structure for the precursor of the misfolded α-synuclein proteoforms involved in synucleopathies. The isotopically labeled short-range non-specific crosslinker TATA-(12)C3/(13)C3 was characterized for use in crosslinking-based protein structural studies. The crosslinking products of TATA can provide a distance constraint of merely 5Ǻ between crosslinked residues. TATA-(12)C3/(13)C3 had broad reactivity, crosslinking a wide variety of amino acids, including lysine, glutamic and aspartic acid, asparagine, glutamine, glycine, alanine

  2. Beyaz Çürükçül Mantar Trametes versicolor’dan Elde Edilen Lakkaz Enzimi İle 2,4,6-Triklorofenol’ün Enzimatik Deklorinasyonunun Kinetik Modellemesi

    Directory of Open Access Journals (Sweden)

    Arzu Ünal

    2016-03-01

    Full Text Available Bu çalışmada beyaz çürükçül mantar suşu Trametes versicolor’dan elde edilen lakkaz enzimi ile toksik klorlu fenolik bir bileşik olan 2,4,6-triklorofenol’ün deklorinasyonuna bağlı detoksifikasyonunun kinetik modellemesi araştırıldı. Substrat olarak kullanılan 2,4,6-triklorofenol’ün deklorinasyonuna bağlı detoksifikasyon kinetiğinin değerlendirilmesinde bir istatistik programı olan Systat 10 paket programı, deklorinasyonun kinetik davranışlarının açıklanması için iki substratlı çözüm ortamı olarak kullanıldı. Deneyler ve istatistiksel analizler sonucunda, Moser eşitliğinin en uygun kinetik model olduğu gözlendi. Elde edilen istatistiksel verilerden ve grafikten, çift-substratlı modelin deney verileri ile iyi bir uyum içinde olduğu görüldü. Enzimatik deklorinasyon kinetiğini tanımlayan model için elde edilen biyokinetik parametre değerleri Vmax =9,341 ppmO2/dk, Ks =38,254 g/L, Ko =20,747 ppm, R = 1,895 ve N = 1,233 olarak hesaplandı. Literatürde 2,4,6-trikolorofenol’ün degradasyonuna ilişkin herhangi bir kinetik modelleme çalışmasına rastlanmamış olup, bu araştırma ile ilk kez tarafımızdan 2,4,6-trikolorofenol’ün enzimatik deklorinasyonuna bağlı degradasyonunun kinetik modellemesi gerçekleştirildi. GC/MS Analiz sonuçları, lakkaz enzimi ile gerçekleştirilen enzimatik deklorinasyon boyunca kullanılan klorofenolik bileşiğin, %80-%100 oranında parçalandığını gösterdi. GC/MS analiz sonuçlarına bağlı olarak deklorinasyondan sorumlu olan enzimin lakkaz olduğu sonucunun literatür bulgularını da desteklediği görüldü.

  3. The ESI CAD fragmentations of protonated 2,4,6-tris(benzylamino)- and tris(benzyloxy)-1,3,5-triazines involve benzyl-benzyl interactions: a DFT study.

    Science.gov (United States)

    Ramesh, M; Raju, B; George, M; Srinivas, K; Jayathirtha Rao, V; Bhanuprakash, K; Srinivas, R

    2012-07-01

    The electrospray ionization collisionally activated dissociation (CAD) mass spectra of protonated 2,4,6-tris(benzylamino)-1,3,5-triazine (1) and 2,4,6-tris(benzyloxy)-1,3,5-triazine (6) show abundant product ion of m/z 181 (C(14) H(13)(+)). The likely structure for C(14) H(13)(+) is α-[2-methylphenyl]benzyl cation, indicating that one of the benzyl groups must migrate to another prior to dissociation of the protonated molecule. The collision energy is high for the 'N' analog (1) but low for the 'O' analog (6) indicating that the fragmentation processes of 1 requires high energy. The other major fragmentations are [M + H-toluene](+) and [M + H-benzene](+) for compounds 1 and 6, respectively. The protonated 2,4,6-tris(4-methylbenzylamino)-1,3,5-triazine (4) exhibits competitive eliminations of p-xylene and 3,6-dimethylenecyclohexa-1,4-diene. Moreover, protonated 2,4,6-tris(1-phenylethylamino)-1,3,5-triazine (5) dissociates via three successive losses of styrene. Density functional theory (DFT) calculations indicate that an ion/neutral complex (INC) between benzyl cation and the rest of the molecule is unstable, but the protonated molecules of 1 and 6 rearrange to an intermediate by the migration of a benzyl group to the ring 'N'. Subsequent shift of a second benzyl group generates an INC for the protonated molecule of 1 and its product ions can be explained from this intermediate. The shift of a second benzyl group to the ring carbon of the first benzyl group followed by an H-shift from ring carbon to 'O' generates the key intermediate for the formation of the ion of m/z 181 from the protonated molecule of 6. The proposed mechanisms are supported by high resolution mass spectrometry data, deuterium-labeling and CAD experiments combined with DFT calculations. Copyright © 2012 John Wiley & Sons, Ltd.

  4. (E-N-[2-(9-Fluorenylidene-3a,5,7-trimethyl-3,3a-dihydro-2H-indol-3-ylidene]-2,4,6-trimethylaniline

    Directory of Open Access Journals (Sweden)

    Norihiro Tokitoh

    2008-02-01

    Full Text Available The title compound, C33H30N2, has an E configuration at the imine double bond. The angle between the least-squares planes of the imine C=N—C group and the benzene ring of the 2,4,6-trimethylphenyl substituent is 85.38 (11°. The crystal structure is sustained mainly by intermolecular π–π interactions (3.510 Å between the two fluorene rings and some C—H...π interactions.

  5. Observation of a Narrow Resonance of Mass 2.46 GeV/c^2 in the D_s^*+\\pi^0 Final State, and Confirmation of the D_sJ^*(2317)^*

    CERN Document Server

    Besson, D; Frolov, V V; Gong, D T; Kubota, Y; Li, S Z; Poling, R A; Smith, A; Stepaniak, C J; Urheim, J; Metreveli, Z V; Seth, K K; Tomaradze, A G; Zweber, P; Arms, K; Eckhart, E; Gwon, C; Pedlar, T K; Von Törne, E; Severini, H; Skubic, P L; Dytman, S A; Müller, J A; Nam, S; Savinov, V; Hinson, J W; Huang, G S; Lee, J; Miller, D H; Pavlunin, V; Sanghi, B; Shibata, E I; Shipsey, I P J; Cronin-Hennessy, D; Park, C S; Park, W; Thayer, J B; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Stroynowski, R; Artuso, M; Boulahouache, C; Blusk, S R; Dambasuren, E; Dorjkhaidav, O; Mountain, R; Muramatsu, H; Nandakumar, R; Skwarnicki, T; Stone, S; Wang, J C; Mahmood, A H; Csorna, S E; Danko, I; Bonvicini, G; Cinabro, D; Dubrovin, M; McGee, S; Bornheim, A; Lipeles, E; Pappas, S P; Shapiro, A; Sun, W M; Weinstein, A J; Briere, R A; Chen, G P; Ferguson, T; Tatishvili, G T; Vogel, H; Watkins, M E; Adam, N E; Alexander, J P; Berkelman, K; Boisvert, V; Cassel, D G; Duboscq, J E; Ecklund, K M; Ehrlich, R; Galik, R S; Gibbons, L; Gittelman, B; Gray, S W; Hartill, D L; Heltsley, B K; Hsu, L; Jones, C D; Kandaswamy, J; Kreinick, D L; Magerkurth, A; Mahlke-Krüger, H; Meyer, T O; Mistry, N B; Patterson, J R; Peterson, D; Pivarski, J; Richichi, S J; Riley, D; Sadoff, A J; Schwarthoff, H; Shepherd, M R; Thayer, J G; Urner, D; Wilksen, T; Warburton, A; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Potlia, V; Stöck, H; Yelton, J; Eisenstein, B I; Gollin, G D; Karliner, I; Lowrey, N; Plager, C; Sedlack, C; Selen, M; Thaler, J J; Williams, J; Edwards, K W

    2003-01-01

    Using 13.5 fb^{-1} of e^+e^- annihilation data collected with the CLEO-II detector, we have observed a new narrow resonance in the D_s^*\\pi^0 final state, with a mass near 2.46 GeV/c^2. The search for such a state was motivated by the recent discovery by the BaBar Collaboration of a narrow state at 2.32 GeV/c^2, the D_{sJ}^*(2317)^+, that decays to D_s\\pi^0. Reconstructing the D_s\\pi^0 and D_s^*\\pi^0 final states in CLEO data, we observe a peak in each of the corresponding reconstructed mass difference distributions, \\Delta M_{D_s\\pi^0} = M(D_s\\pi^0) - M(D_s) and \\Delta M_{D_s^*\\pi^0} = M(D_s^*\\pi^0) - M(D_s^*), both of them at values around 350 MeV/c^2. These peaks constitute statistically significant evidence for two distinct states, at 2.32 and 2.46 GeV/c^2, taking into account the background source that each state comprises for the other in light of the nearly identical values of \\Delta M observed for the two peaks. We have measured the mean mass differences \\Delta M_{D_s\\pi^0} = 350.4 \\pm 1.2[stat.] \\pm ...

  6. Immunization with the SDPM1 peptide lowers amyloid plaque burden and improves cognitive function in the APPswePSEN1(A246E) transgenic mouse model of Alzheimer's disease.

    Science.gov (United States)

    Wang, Chiou-Miin; Devries, Sarah; Camboni, Marybeth; Glass, Matthew; Martin, Paul T

    2010-09-01

    Vaccination has become an important therapeutic approach to the treatment of Alzheimer's disease (AD), however, immunization with Abeta amyloid can have unwanted, potentially lethal, side effects. Here we demonstrate an alternative peptide-mimotope vaccine strategy using the SDPM1 peptide. SDPM1 is a 20 amino acid peptide bounded by cysteines that binds tetramer forms of Abeta(1-40)- and Abeta(1-42)-amyloids and blocks subsequent Abeta amyloid aggregation. Immunization of mice with SDPM1 induced peptide-mimotope antibodies with the same biological activity as the SDPM1 peptide. When done prior to the onset of amyloid plaque formation, SDPM1 vaccination of APPswePSEN1(A246E) transgenic mice reduced amyloid plaque burden and Abeta(1-40) and Abeta(1-42) levels in the brain, improved cognitive performance in Morris water maze tests, and resulted in no increased T cell responses to immunogenic or Abeta peptides or brain inflammation. When done after plaque burden was already significant, SDPM1 immunization still significantly reduced amyloid plaque burden and Abeta(1-40/1-42) peptide levels in APPswePSEN1(A246E) brain without inducing encephalitogenic T cell responses or brain inflammation, but treatment at this stage did not improve cognitive function. These experiments demonstrate the efficacy of a novel vaccine approach for Alzheimer's disease where immunization with an Abeta(1-40/1-42) amyloid-specific binding and blocking peptide is used to inhibit the development of neuropathology and cognitive dysfunction.

  7. Selective Sensing of Fe(3+) and Al(3+) Ions and Detection of 2,4,6-Trinitrophenol by a Water-Stable Terbium-Based Metal-Organic Framework.

    Science.gov (United States)

    Cao, Li-Hui; Shi, Fang; Zhang, Wen-Min; Zang, Shuang-Quan; Mak, Thomas C W

    2015-10-26

    A water-stable luminescent terbium-based metal-organic framework (MOF), {[Tb(L1 )1.5 (H2 O)]⋅3 H2 O}n (Tb-MOF), with rod-shaped secondary building units (SBUs) and honeycomb-type tubular channels has been synthesized and structurally characterized by single-crystal X-ray diffraction. The high green emission intensity and the microporous nature of the Tb-MOF indicate that it can potentially be used as a luminescent sensor. In this work, we show that Tb-MOF can selectively sense Fe(3+) and Al(3+) ions from mixed metal ions in water through different detection mechanisms. In addition, it also exhibits high sensitivity for 2,4,6-trinitrophenol (TNP) in the presence of other nitro aromatic compounds in aqueous solution by luminescence quenching experiments. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Bis[1,3-bis(2,4,6-trimethylphenyl-2,3-dihydro-1H-imidazol-2-ylidene]dinitrosyl(tetrahydroborato-κ2H,H′tungsten(0

    Directory of Open Access Journals (Sweden)

    Heinz Berke

    2011-01-01

    Full Text Available In the title paramagnetic 19-electron neutral complex, [W(BH4(C21H24N22(NO2], the W(0 atom is coordinated by two 1,3-bis(2,4,6-trimethylphenylimidazol-2-ylidene (IMes carbene ligands, two NO groups and two H atoms of an η2-tetrahydroborate ligand. Depending on the number of coordination sites (n assigned to the BH4− ligand, the coordination geometry of the W atom may either be described as approximately trigonal–bipyramidal (n = 1 or as very distorted octahedral with the bridging H atoms filling two coordination positions (n = 2. In the latter case, the coplanar NO groups and bridging H atoms (r.m.s. deviation = 0.032 Å form one octahedral plane, with mutually trans-oriented carbene ligands. In the crystal, molecules are connected via C—H...O interactions.

  9. PRIMA-1 and PRIMA-1Met (APR-246: From Mutant/Wild Type p53 Reactivation to Unexpected Mechanisms Underlying Their Potent Anti-Tumor Effect in Combinatorial Therapies

    Directory of Open Access Journals (Sweden)

    Anne Perdrix

    2017-12-01

    Full Text Available p53 protects cells from genetic assaults by triggering cell-cycle arrest and apoptosis. Inactivation of p53 pathway is found in the vast majority of human cancers often due to somatic missense mutations in TP53 or to an excessive degradation of the protein. Accordingly, reactivation of p53 appears as a quite promising pharmacological approach and, effectively, several attempts have been made in that sense. The most widely investigated compounds for this purpose are PRIMA-1 (p53 reactivation and induction of massive apoptosis and PRIMA-1Met (APR-246, that are at an advanced stage of development, with several clinical trials in progress. Based on publications referenced in PubMed since 2002, here we review the reported effects of these compounds on cancer cells, with a specific focus on their ability of p53 reactivation, an overview of their unexpected anti-cancer effects, and a presentation of the investigated drug combinations.

  10. Localization of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and 2,4,6-trinitrotoluene (TNT) in poplar and switchgrass plants using phosphor imager autoradiography

    Energy Technology Data Exchange (ETDEWEB)

    Brentner, Laura B., E-mail: laura.brentner@yale.ed [Chemical Engineering and Environmental Engineering Program, Yale University, New Haven, CT 06513 (United States); Mukherji, Sachiyo T. [Department of Civil and Environmental Engineering, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Walsh, Susan A. [Small Animal Imaging Core, University of Iowa, Iowa City, IA 52242 (United States); Schnoor, Jerald L. [Department of Civil and Environmental Engineering, University of Iowa, Iowa City, IA 52242 (United States)

    2010-02-15

    Phosphor imager autoradiography is a technique for rapid, sensitive analysis of the localization of xenobiotics in plant tissues. Use of this technique is relatively new to research in the field of plant science, and the potential for enhancing visualization and understanding of plant uptake and transport of xenobiotics remains largely untapped. Phosphor imager autoradiography is used to investigate the uptake and translocation of the explosives 1,3,5-trinitro-1,3,5-triazine (RDX) and 2,4,6-trinitrotoluene within Populus deltoides x nigra DN34 (poplar) and Panicum vigratum Alamo (switchgrass). In both plant types, TNT and/or TNT-metabolites remain predominantly in root tissues while RDX and/or RDX-metabolites are readily translocated to leaf tissues. Phosphor imager autoradiography is further investigated for use in semi-quantitative analysis of uptake of TNT by switchgrass. - Phosphor imager autoradiography allows for rapid localization and quantification of RDX, TNT, and/or metabolites in plant tissues.

  11. Structural and Catalytic Differences between Two FADH2-Dependent Monooxygenases: 2,4,5-TCP 4-Monooxygenase (TftD from Burkholderia cepacia AC1100 and 2,4,6-TCP 4-Monooxygenase (TcpA from Cupriavidus necator JMP134

    Directory of Open Access Journals (Sweden)

    ChulHee Kang

    2012-08-01

    Full Text Available 2,4,5-TCP 4-monooxygenase (TftD and 2,4,6-TCP 4-monooxygenase (TcpA have been discovered in the biodegradation of 2,4,5-trichlorophenol (2,4,5-TCP and 2,4,6-trichlorophenol (2,4,6-TCP. TcpA and TftD belong to the reduced flavin adenine dinucleotide (FADH2-dependent monooxygenases and both use 2,4,6-TCP as a substrate; however, the two enzymes produce different end products. TftD catalyzes a typical monooxygenase reaction, while TcpA catalyzes a typical monooxygenase reaction followed by a hydrolytic dechlorination. We have previously reported the 3D structure of TftD and confirmed the catalytic residue, His289. Here we have determined the crystal structure of TcpA and investigated the apparent differences in specificity and catalysis between these two closely related monooxygenases through structural comparison. Our computational docking results suggest that Ala293 in TcpA (Ile292 in TftD is possibly responsible for the differences in substrate specificity between the two monooxygenases. We have also identified that Arg101 in TcpA could provide inductive effects/charge stabilization during hydrolytic dechlorination. The collective information provides a fundamental understanding of the catalytic reaction mechanism and the parameters for substrate specificity. The information may provide guidance for designing bioremediation strategies for polychlorophenols, a major group of environmental pollutants.

  12. Crystal structures of N,N-dimethyl-(2-(2,2-diphenyl-2-prop-2-ynyloxyacetoxyethylamine and N,N-dimethyl-(2-(2,2-diphenyl-2-prop-2-ynyloxyacetoxyethylammonium 2,4,6-trinitrophenolate

    Directory of Open Access Journals (Sweden)

    Mohammed A. E. Shaibah

    2017-10-01

    Full Text Available The N,N-dimethylethylamminium unit in N,N-dimethyl-[2-(2,2-diphenyl-2-prop-2-ynyloxyacetoxy]ethylamine, C21H23NO3 (I, is disordered over two sets of atomic sites having occupancies of 0.880 (3 and 0. 120 (3, but there are no direction-specific interactions between the molecules of (I. The cation in N,N-dimethyl-[2-(2,2-diphenyl-2-prop-2-ynyloxyacetoxy]ethylammonium 2,4,6-trinitrophenolate (picrate, C21H24NO3+·C6H2N3O7− (II, shows a similar type of disorder, with occupancies of 0.654 (11 and 0.346 (11, although the overall conformation of the cation in (II is different from that in the neutral (I. The component ions are are linked by an almost planar three-centre N—H...(O2 hydrogen bond, and the ion pairs are further linked by a combination of three C—H...O hydrogen bonds to form sheets. Comparisons are made with some related structures.

  13. Systematic evaluation of a new organic material: 1-methyl-1H-imidazol-3-ium-2,4,6-trinitrobenzene-1,3-bis(olate) for optoelectronics through spectral, structural, electrical, optical, quantum chemical and Hirshfeld surface studies

    Science.gov (United States)

    Dhamodharan, P.; Sathya, K.; Dhandapani, M.

    2017-05-01

    A new organic material, 1-methyl-1H-imidazol-3-ium-2,4,6-trinitrobenzene-1,3-bis(olate) (MITB), was synthesized and crystallized by solution growth-slow evaporation technique at ambient temperature. The characteristic functional groups in MITB were identified from FT-IR spectrum. 1H, 13C and DEPT-135 NMR spectroscopic techniques were used to ascertain types of carbons and protons in MITB. The compound crystallizes in the monoclinic system with a space group of P21/c. The electrostatic attraction between anions and cations stabilizes the crystal lattice and the N-H…O and C-H…O hydrogen bonds linking the cations and anions supplement the stable three dimensional networks. The material was thermally stable up to 178 °C. The molecular structure was optimized by Gaussian 09 program at B3LYP/6-311++G(d,p) level of basis set. Hydrogen bonding interactions are responsible for greater hyperpolarizability value of MITB and the value was found to be 34 times greater than that of reference material, urea. HOMO-LUMO, electrostatic potential surface and Mulliken atomic charges were calculated to explore covalent and non covalent interactions present in MITB. Hirshfeld surface analysis was carried out to estimate prominent covalent and non covalent interactions. Dielectric constant and dielectric loss have been determined to find MITB's suitability for optoelectronic applications.

  14. Poly[[(1,10-phenanthroline{μ3-2,2′,2′′-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl]triacetato}cadmium] 0.42-hydrate

    Directory of Open Access Journals (Sweden)

    Chun-Jing Chi

    2011-07-01

    Full Text Available The asymmetric unit of the title complex, {[Cd(C9H7N3O6S3(C12H8N2]·0.42H2O}n, contains a CdII atom, one doubly deprotonated 2,2′,2′′-[1,3,5-triazine-2,4,6-triyltris(sulfanediyl]triacetic acid ligand (HTTTA2−, a 1,10-phenanthroline (phen ligand and a fractionally occupied water molecule [site occupancy = 0.421 (15]. The CdII atom is six-coordinated within a distorted octahedral coordination geometry. Six coordination arises from four O atoms derived from three different HTTTA2− ligands, and two N atoms of the chelating phen molecule. The incompletely deprotonated triazine ligand adopts a μ3-η1:η1:η2 coordination mode, resulting in the formation of chains along the c axis based on Cd2O2 dimeric units. Adjacent chains are stacked through π–π stacking [3.533 (2 Å between phen and triazine rings] and C—H...O interactions, forming supramolecular sheets in the ab plane. Intra-and intermolecular O—H...O hydrogen bonds are also observed.

  15. Actinide Oxidation State and O/M Ratio in Hypostoichiometric Uranium-Plutonium-Americium U0.750Pu0.246Am0.004O2-x Mixed Oxides.

    Science.gov (United States)

    Vauchy, Romain; Belin, Renaud C; Robisson, Anne-Charlotte; Lebreton, Florent; Aufore, Laurence; Scheinost, Andreas C; Martin, Philippe M

    2016-03-07

    Innovative americium-bearing uranium-plutonium mixed oxides U1-yPuyO2-x are envisioned as nuclear fuel for sodium-cooled fast neutron reactors (SFRs). The oxygen-to-metal (O/M) ratio, directly related to the oxidation state of cations, affects many of the fuel properties. Thus, a thorough knowledge of its variation with the sintering conditions is essential. The aim of this work is to follow the oxidation state of uranium, plutonium, and americium, and so the O/M ratio, in U0.750Pu0.246Am0.004O2-x samples sintered for 4 h at 2023 K in various Ar + 5% H2 + z vpm H2O (z = ∼ 15, ∼ 90, and ∼ 200) gas mixtures. The O/M ratios were determined by gravimetry, XAS, and XRD and evidenced a partial oxidation of the samples at room temperature. Finally, by comparing XANES and EXAFS results to that of a previous study, we demonstrate that the presence of uranium does not influence the interactions between americium and plutonium and that the differences in the O/M ratio between the investigated conditions is controlled by the reduction of plutonium. We also discuss the role of the homogeneity of cation distribution, as determined by EPMA, on the mechanisms involved in the reduction process.

  16. Construction of new zinc(II) coordination polymers by 1-(triazol-1-yl)-2,4,6-benzenetricarboxylate ligand for sensitizing lanthanide(III) ions and sensing small molecules

    Science.gov (United States)

    Jia, Jia; Wang, Pengcheng; Chai, Juan; Ma, Bing; Sun, Jing; Chen, Xiaobo; Fan, Yong; Wang, Li; Xu, Jianing

    2017-09-01

    Two zinc(II) coordination polymers (CPs), namely, {[Zn2(μ5-tzbt)(μ-trz)]·3.5H2O}n (trz = 1,2,4-triazolate) (1) and {[Zn2(μ5-tzbt)(μ-OH)(phen)]·4H2O}n (phen = 1,10-phenanthroline) (2) have been constructed from 1-(triazol-1-yl)-2,4,6-benzene tricarboxylic acid (H3tzbt) under hydrothermal conditions. Single crystal X-ray diffraction analysis reveals that 1 displays 3D framework containing left - handed and right - handed helical chains, whilst 2 is a 2D layered structure. These new CPs both exhibit intensive fluorescence emission at room temperature. Notably, they perform as host for the encapsulation of Ln(III) ions and serve as an antenna to sensitize Tb(III) ions. By encapsulating different Ln(III) ions, both Eu0.2Tb0.8@1 and Eu3+@2 present white-light emission. In addition, 2 exhibits highly luminescent sensing properties for acetone.

  17. Novel pyridine-2,4,6-tricarbohydrazide thiourea compounds as small key organic molecules for the potential treatment of type-2 diabetes mellitus: In vitro studies against yeast α- and β-glucosidase and in silico molecular modeling.

    Science.gov (United States)

    Rehman, Tanzeel Ur; Riaz, Sadaf; Khan, Islam Ullah; Ashraf, Muhammad; Bajda, Marek; Gawalska, Alicja; Yar, Muhammad

    2017-12-01

    A range of novel pyridine-2,4,6-tricarbohydrazide thiourea compounds (4a-i) were synthesized in good to excellent yields (63-92%). The enzyme inhibitory potentials of these compounds were investigated against α- and β-glucosidases because these enzymes play a crucial role in treating type-2 diabetes mellitus (T2DM). As compared to the reference compound acarbose (IC50 38.22 ± 0.12 μM), compounds 4i (IC50 25.49 ± 0.67 μM), 4f (IC50 28.91 ± 0.43 μM), 4h (IC50 30.66 ± 0.52 μM), and 4e (IC50 35.01 ± 0.45 μM) delivered better inhibition against α-glucosidase and were quite inactive/completely inactive against β-glucosidase. The structure-activity relationship of these compounds was developed and elaborated with the help of molecular docking studies. © 2017 Deutsche Pharmazeutische Gesellschaft.

  18. Physico-chemical characterization, density functional theory (DFT) studies and Hirshfeld surface analysis of a new organic optical material: 1H-benzo[d]imidazol-3-ium-2,4,6-trinitrobenzene-1,3 bis(olate)

    Science.gov (United States)

    Dhamodharan, P.; Sathya, K.; Dhandapani, M.

    2017-10-01

    A novel organic crystal, 1H-benzo[d]imidazol-3-ium-2,4,6-trinitrobenzene-1,3 bis(olate) (BITB), was synthesized. Single crystals of BITB were harvested by solution growth-slow evaporation technique. 1H and 13C NMR spectroscopic techniques were utilized to confirm the presence of various types of carbons and protons in BITB. Single crystal XRD confirms that BITB crystallizes in monoclinic system with a space group of P21/n. The suitability of this material for optical applications was assessed by optical absorption, transmittance, reflectance and refractive index spectroscopic techniques. Gaussian 09 program at B3LYP/6-311++G(d,p) level of basis set as used for the optimization of molecular structure of BITB. Greater first order hyperpolarizability value of BITB is due to intensive hydrogen bond network in the crystal. The value is 15 times greater than that of Urea, a reference standard. Computation of frontier molecular orbitals and electrostatic potential surface helped to understand the electron density and reactive sites in BITB. The material was thermally stable up to 220 °C. Hirshfeld surface analysis was performed to quantify the covalent and non covalent interactions.

  19. One pot synthesis, molecular structure and spectroscopic studies (X-ray, IR, NMR, UV-Vis) of novel 2-(4,6-dimethoxy-1,3,5-triazin-2-yl) amino acid ester derivatives

    Science.gov (United States)

    El-Faham, Ayman; Soliman, Saied M.; Osman, Sameh M.; Ghabbour, Hazem A.; Siddiqui, Mohammed R. H.; Fun, Hoong-Kun; Albericio, Fernando

    2016-04-01

    Novel series of 2-(4,6-dimethoxy,1,3,5-triazin-2-yl) amino acid ester derivatives were synthesized using simple one pot method in methanol. The products were obtained in high yields and purities as observed from their spectral data, elemental analyses, GC-MS and X-ray crystallographic analysis. The B3LYP/6-311G(d,p) calculated molecular structures are well correlated with the geometrical parameters obtained from the X-ray analyses. The spectroscopic properties such as IR vibrational modes, NMR chemical shifts and UV-Vis electronic transitions were discussed both experimentally and theoretically. The IR vibrational frequencies showed good correlations with the experimental data (R2 = 0.9961-0.9995). The electronic spectra were assigned based on the TD-DFT results. Intense electronic transition band is calculated at 198.1 nm (f = 0.1389), 204.2 nm (f = 0.2053), 205.0 (f = 0.1704) and 205.7 (0.2971) for compounds 6a-i, respectively. The molecular orbital energy levels contributed in the longest wavelength transition band were explained. For all compounds, the experimental wavelengths showed red shifts compared to the calculations due to the solvent effect. The NMR chemical shifts were calculated using GIAO method. The NBO analyses were performed to predict the stabilization energies due to the electron delocalization processes occur in the studied systems.

  20. Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium bis[bis(pyridine-2,6-dicarboxylatocuprate(II] pyridine-2,6-dicarboxylic acid hexahydrate

    Directory of Open Access Journals (Sweden)

    Shabnam Hooshmand

    2009-02-01

    Full Text Available The reaction of copper(II nitrate hexahydrate with pyridine-2,6-dicarboxylic acid (pydcH2 and 2,4,6-triamino-1,3,5-triazine (melamine in aqueous solution in a 1:2:2 molar ratio gave the title compound, (H5O2(C3H7N63[Cu(C7H3NO42]2·C7H5NO4·6H2O. The hydroxonium hydrate (H5O2+, also known as the Zundel cation, resides on a twofold rotation axis. The O—H distance is 1.274 (14 Å, the O...O distance is 2.518 (5 Å, and the O—H—O angle is 162 (8°. One of the melamine H+ cations, the uncoordinated pydcH2, and two water molecules also reside on crystallographic twofold axes. The CuII atom has a tetragonally distorted octahedral coordination environment. The structure features extensive hydrogen bonding, with 21 distinct interactions. There is also a centrosymmetric C=O...π interaction with an O...centroid distance of 3.288 (3 Å. The structure is similar to a mixed-valence manganese(II/III structure but shows interesting differences in the metal-atom coordination. One of the water molecules is equally disordered with respect to a twofold axis.

  1. The effects of intra-rectal and intra-peritoneal application of Origanum onites L. essential oil on 2,4,6-trinitrobenzenesulfonic acid-induced colitis in the rat.

    Science.gov (United States)

    Dundar, Emine; Olgun, Esra Gurlek; Isiksoy, Serap; Kurkcuoglu, Mine; Baser, K Husnu Can; Bal, Cengiz

    2008-04-01

    The aim of the present study is to investigate the treatment efficiency of intra-rectal (IR) and intra-peritoneal (IP) application of Origanum onites essential oil (OOEO), which is a well-known antioxidant, in the colitis model induced by 2,4,6-trinitrobenzenesulfonic acid (TNBS) and ethanol (E) in comparison with dexamethasone therapy through the morphologic damage score. Monoclonal antibodies against intercellular adhesion molecule-1 (ICAM-1, CD54), anti-rat granulocytes, and myeloperoxidase (MPO), were also investigated immunohistochemically. There was a significant difference in terms of ulceration, mucus cell depletion, inflammatory cell infiltration, vascular dilatation (pIR and control colitis groups. A significant difference was encountered in terms of mucus cell depletion, crypt abscesses, inflammatory cell infiltration, vascular dilatation (pIR and control colitis groups. A significant difference was noticed in terms of ulceration, inflammatory cell infiltration, mucus cell depletion (p0.05). Under the present conditions, we concluded that IR and IP OOEO treatment, applied at the dosage of 0.1 or 1mg/kg/day, have a significant protective effect on the colonic injury.

  2. Field-Induced Single-Ion Magnet Behaviour in Two New Cobalt(II Coordination Polymers with 2,4,6-Tris(4-pyridyl-1,3,5-triazine

    Directory of Open Access Journals (Sweden)

    Dong Shao

    2017-12-01

    Full Text Available We herein reported the syntheses, crystal structures, and magnetic properties of a two-dimensional coordination polymer {[CoII(TPT2/3(H2O4][CH3COO]2·(H2O4}n (1 and a chain compound {[CoII(TPT2(CHOO2(H2O2]}n (2 based on the 2,4,6-Tris(4-pyridyl-1,3,5-triazine (TPT ligand. Structure analyses showed that complex 1 had a cationic hexagonal framework structure, while 2 was a neutral zig-zag chain structure with different distorted octahedral coordination environments. Magnetic measurements revealed that both complexes exhibit large easy-plane magnetic anisotropy with the zero-field splitting parameter D = 47.7 and 62.1 cm−1 for 1 and 2, respectively. This magnetic anisotropy leads to the field-induced slow magnetic relaxation behaviour. However, their magnetic dynamics are quite different; while complex 1 experienced a dominating thermally activated Orbach relaxation at the whole measured temperature region, 2 exhibited multiple relaxation pathways involving direct, Raman, and quantum tunneling (QTM processes at low temperatures and Orbach relaxation at high temperatures. The present complexes enlarge the family of framework-based single-ion magnets (SIMs and highlight the significance of the structural dimensionality to the final magnetic properties.

  3. Observation of a Narrow Resonance of Mass 2.46 GeV/$c^{2}$ Decaying to $D_{s}^{*+}\\ pi^{0}$ and Confirmation of the $D_{sJ}^{*}$ (2317) State

    CERN Document Server

    Besson, D; Frolov, V V; Gong, D T; Kubota, Y; Li, S Z; Poling, R A; Smith, A; Stepaniak, C J; Urheim, J; Metreveli, Z V; Seth, K K; Tomaradze, A G; Zweber, P; Arms, K; Eckhart, E; Gan, K K; Gwon, C; Pedlar, T K; Von Törne, E; Severini, H; Skubic, P L; Dytman, S A; Müller, J A; Nam, S; Savinov, V; Hinson, J W; Huang, G S; Lee, J; Miller, D H; Pavlunin, V; Sanghi, B; Shibata, E I; Shipsey, I P J; Cronin-Hennessy, D; Park, C S; Park, W; Thayer, J B; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Stroynowski, R; Artuso, M; Boulahouache, C; Blusk, S R; Dambasuren, E; Dorjkhaidav, O; Mountain, R; Muramatsu, H; Nandakumar, R; Skwarnicki, T; Stone, S; Wang, J C; Mahmood, A H; Csorna, S E; Danko, I; Bonvicini, G; Cinabro, D; Dubrovin, M; McGee, S; Bornheim, A; Lipeles, E; Pappas, S P; Shapiro, A; Sun, W M; Weinstein, A J; Briere, R A; Chen, G P; Ferguson, T; Tatishvili, G T; Vogel, H; Watkins, M E; Adam, N E; Alexander, J P; Berkelman, K; Boisvert, V; Cassel, D G; Duboscq, J E; Ecklund, K M; Ehrlich, R; Galik, R S; Gibbons, L; Gittelman, B; Gray, S W; Hartill, D L; Heltsley, B K; Hsu, L; Jones, C D; Kandaswamy, J; Kreinick, D L; Magerkurth, A; Mahlke-Krüger, H; Meyer, T O; Mistry, N B; Patterson, J R; Peterson, D; Pivarski, J; Richichi, S J; Riley, D; Sadoff, A J; Schwarthoff, H; Shepherd, M R; Thayer, J G; Urner, D; Wilksen, T; Warburton, A; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Potlia, V; Stöck, H; Yelton, J; Eisenstein, B I; Gollin, G D; Karliner, I; Lowrey, N; Plager, C; Sedlack, C; Selen, M; Thaler, J J; Williams, J; Edwards, K W

    2003-01-01

    Using 13.5 inverse fb of e+e- annihilation data collected with the CLEO II detector we have observed a narrow resonance in the Ds*+pi0 final state, with a mass near 2.46 GeV. The search for such a state was motivated by the recent discovery by the BaBar Collaboration of a narrow state at 2.32 GeV, the DsJ*(2317)+ that decays to Ds+pi0. Reconstructing the Ds+pi0 and Ds*+pi0 final states in CLEO data, we observe peaks in both of the corresponding reconstructed mass difference distributions, dM(Dspi0)=M(Dspi0)-M(Ds) and dM(Ds*pi0)=M(Ds*pi0)-M(Ds*), both of them at values near 350 MeV. We interpret these peaks as signatures of two distinct states, the DsJ*(2317)+ plus a new state, designated as the DsJ(2463)+. Because of the similar dM values, each of these states represents a source of background for the other if photons are lost, ignored or added. A quantitative accounting of these reflections confirms that both states exist. We have measured the mean mass differences = 350.0 +/- 1.2 [stat] +/- 1.0 [syst] MeV ...

  4. A rapid and easy protein N-terminal profiling strategy using (N-Succinimidyloxycarbonylmethyl)tris(2,4,6-trimethoxyphenyl)phosphonium bromide (TMPP) labeling and StageTip.

    Science.gov (United States)

    Li, Yanchang; Wang, Zhiqiang; Zhou, Wenjing; Zhang, Kun; Ma, Jie; Wu, Feilin; Ji, Jianguo; Hong, Xuechuan; Deng, Zixin; He, Simin; Xu, Ping

    2017-07-01

    Protein N-terminal profiling is crucial when characterizing biological functions and provides proteomic evidences for genome reannotations. However, most of the current N-terminal enrichment approaches involve multiple chemical derivatizations and chromatographic separation processes which are time consuming and can contribute to N-terminal peptide losses. In this study, a fast, one-step approach utilizing (N-Succinimidyloxycarbonylmethyl)tris(2,4,6-trimethoxyphenyl)phosphonium bromide (TMPP) derivatization and StageTip separation was developed to enhance N-terminal peptide enrichment and analysis. Based on the characteristics of TMPP-derivatized samples, such as a higher hydrophobicity and increased likelihood to produce a and b ions in collision-induced dissociation or HCD fragmentation modes, first the SDS-PAGE was optimized to increase protein loading and gel entry and to remove unbound TMPP. Then, this process was combined with a simplified StageTip separation and a new scoring criterion (considering a, b and y ions) to identify more TMPP-modified N-terminal spectra. When utilizing a low amount of starting material (∼20 μg protein), a total of 581 yeast N-terminal peptides were identified, with 485 of them being TMPP modified, in only about one third of the general experimental time. It is hoped that the workflow constructed herein will provide a fast and practical strategy for N-terminomic studies. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Discovery of New 2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(substituted phenoxy)benzoic Acids as Flexible Inhibitors of Arabidopsis thaliana Acetohydroxyacid Synthase and Its P197L Mutant.

    Science.gov (United States)

    Qu, Ren-Yu; Yang, Jing-Fang; Devendar, Ponnam; Kang, Wei-Ming; Liu, Yu-Chao; Chen, Qiong; Niu, Cong-Wei; Xi, Zhen; Yang, Guang-Fu

    2017-12-27

    In the search for new antiresistance acetohydroxyacid synthase (AHAS, EC 2.2.1.6) inhibitors to combat weed resistance associated with AHAS mutations, a series of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(substituted phenoxy)benzoic acids 11-38 were designed and synthesized via the strategy of conformational flexibility analysis. Compounds 21, 22, 26, 33, 36, and 38 with high potency against both wild-type AtAHAS and its P197L mutant were identified as promising candidates with low resistance factors (RF, defined as the ratio between the ki values toward P197L mutant and wild-type AHAS) ranging from 0.73 to 6.32. Especially, compound 22 (RF = 0.73) was further identified as the most potent antiresistance AHAS inhibitor because of its significantly reduced resistance level compared with that of tribenuron-methyl (RF = 2650) and bispyribac (RF = 4.57). Furthermore, compounds 26, 33, 36, and 38 also displayed promising herbicidal activities against sensitive and resistant (P197L) Descurainia sophia at the dosage of 75-150 g of active ingredient (ai)/ha. Notably, compounds 33 and 38 still maintained over 60% herbicidal activity toward the resistant weed even at much lower dosages (37.5 g ai/ha). Therefore, the designed scaffold has the great potential to discover new candidate compounds for the control of weed resistance associated with AHAS mutation.

  6. Therapeutic efficacy of carboxyamidotriazole on 2,4,6-trinitrobenzene sulfonic acid-induced colitis model is associated with the inhibition of NLRP3 inflammasome and NF-κB activation.

    Science.gov (United States)

    Du, Xiaowan; Chen, Wei; Wang, Yufeng; Chen, Chen; Guo, Lei; Ju, Rui; Li, Juan; Zhang, Dechang; Zhu, Lei; Ye, Caiying

    2017-04-01

    Excess proinflammatory cytokines owing to the activation of NF-κB and NLRP3 inflammasome play the key role in inflammatory bowel disease (IBD). Previously, we reported the anti-inflammatory activity of carboxyamidotriazole (CAI) resulting from decreasing cytokines. Therefore, we investigated the therapeutic effects of CAI in 2,4,6-trinitrobenzene sulfonic acid (TNBS)-induced rat colitis and the involvement of CAI action with NLRP3 inflammasome and NF-κB pathway. CAI was orally administered to TNBS-induced colitis rat. The severity of colitis was assessed, and NLRP3 inflammasome, NF-κB pathway and cytokines were determined. Our results showed that CAI significantly reduced weight loss and disease activity index (DAI) scores in colitis rats and alleviated the colonic macroscopic signs and pathological damage. In addition, the intestinal inflammatory markers and permeability index were markedly ameliorated by CAI treatment. The decreased levels of tumor necrosis factor-α (TNF-α), interleukin (IL)-1β, IL-6, IL-18 were also detected in the colon tissues of CAI-treated colitis rats. Moreover, the activation of NLRP3 inflammasome in inflamed colon was significantly suppressed by showing an obvious reduction in the NLRP3 and activated caspase-1 levels. Furthermore, CAI reduced NF-κB p65 expression and IκBα phosphorylation and degradation in colitis rats. Therefore, CAI attenuates TNBS-induced colitis, which may be attributed to its inhibition of NLRP3 inflammasome and NF-κB activation, and down-regulation of proinflammatory cytokines. These results provide further understanding of the intestinal anti-inflammatory effect of CAI and highlight it as a potential drug for the treatment of IBD. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Synthesis of chitosan/γ-Fe2O3/fly-ash-cenospheres composites for the fast removal of bisphenol A and 2,4,6-trichlorophenol from aqueous solutions.

    Science.gov (United States)

    Pan, Jianming; Yao, Hang; Li, XiuXiu; Wang, Bing; Huo, Pengwei; Xu, Wanzhen; Ou, Hongxiang; Yan, Yongsheng

    2011-06-15

    The chitosan/fly-ash-cenospheres/γ-Fe(2)O(3) (CTS/γ-Fe(2)O(3)/FACs) magnetic composites were prepared by microemulsion process. The resulting composites were characterized by XRD, FT-IR, SEM, TGA, DTG and VSM, and the results indicated that CTS/γ-Fe(2)O(3)/FACs exhibited magnetic property (M(s)=6.553 emu g(-1)) and thermal stability, and composed of chitosan wrapping magnetic γ-Fe(2)O(3) and fly-ash-cenospheres (thickness of the cross-linked chitosan was about 5.2 μm). Then the CTS/γ-Fe(2)O(3)/FACs were employed as adsorbents for the fast removal of bisphenol A (BPA) and 2,4,6-trichlorophenol (TCP) from aqueous solutions. The adsorption performances of CTS/γ-Fe(2)O(3)/FACs were investigated by batch mode experiments with respect to pH, temperature, initial concentration, contact time and binary solution system. The Langmuir isotherm model was fitted to the equilibrium data better than the Freundlich model, and the kinetic properties were well described by the pseudo-second-order equation. The effects of binary solution systems also demonstrated that BPA adsorption onto CTS/γ-Fe(2)O(3)/FACs was more affected by the simultaneous presence of competitive phenolic compound than that of TCP. In addition, the resulting composite reusability without obviously deterioration in performance was demonstrated by at least three repeated cycles. Copyright © 2011 Elsevier B.V. All rights reserved.

  8. Studies on synthesis, structural, luminescent and thermal properties of a new non-linear optical crystal: 4-amino-4H-1,2,4-triazol-1-ium-3-hydroxy-2,4,6-trinitrophenolate

    Energy Technology Data Exchange (ETDEWEB)

    Dhamodharan, P.; Sathya, K.; Dhandapani, M., E-mail: chemistrydhandapani@gmail.com

    2017-03-01

    A new organic proton transfer complex having NLO activity, 4-amino-4H-1,2,4-triazol-1-ium-3-hydroxy-2,4,6-trinitrophenolate (ATHTP), was crystallized to investigate the factors which stabilize the structure of the crystal. The compound crystallizes in triclinic system with space group P-1. Elemental analysis, thermal analysis, UV–Vis–NIR, FT-IR and NMR spectral analyses were carried out to characterize the crystal. Optical, spectral and thermal properties of the title crystal were analyzed to recommend the material for optical applications. Z-scan was used to measure the effective third-order nonlinear optical susceptibility and nonlinear refractive index. The crystal structure was determined using single crystal XRD method and the structure was optimized using Gaussian 09 program at B3LYP/6-311++G(d,p) level of basis set. This hydrogen bond interactions led to the increase in first-order hyperpolarizability of ATHTP and was 30 times greater than that of urea. Hirshfeld analyses surface analysis was carried out to explore intermolecular interactions in the crystalline state. - Highlights: • Single crystals were grown by slow evaporation solution growth technique. • N-H…O, O-H…O and C-H…O type of interactions lead to stable network. • The thermal stability of the compound was investigated by TG/DTA analyses. • The third-order nonlinear optical susceptibility is found to be 2.1×10{sup −7} esu. • Hirshfeld analyses explore covalent and non covalent interactions.

  9. Decay of Bk246* formed in similar entrance channel reactions of B11+U235 and N14+Th232 at low energies using the dynamical cluster-decay model

    Science.gov (United States)

    Singh, Birbikram; Sharma, Manoj K.; Gupta, Raj K.

    2008-05-01

    The decay of the Bk246* nucleus, formed in entrance channel reactions B11+U235 and N14+Th232 at different incident energies, is studied by using the dynamical cluster-decay model (DCM) extended to include the deformations and orientations of nuclei. The main decay mode here is fission. The other (weaker) decay channels are the light particles evaporation (A⩽4) and intermediate mass fragments (5⩽A⩽20). All decay products are calculated as emissions of preformed clusters through the interaction barriers. The calculated fission cross sections σfiss, taken as a sum of the energetically favored symmetric and near symmetric fragments (ACN/2±7 and A=106-110 plus complementary fragments) show an excellent agreement with experimental data at all experimental incident c.m. energies for both reactions, except for the top three energies in the case of the B11+U235 reaction. The disagreement between the DCM calculations and data at higher incident c.m. energies for the B11+U235 entrance channel is associated with the presence of additional effects of noncompound, quasifission (qf) components, in contradiction with the measured anisotropy effects which indicate the other entrance channel N14+Th232 to contain the noncompound nucleus contribution. The prediction of two fission windows, the symmetric fission (SF) and near symmetric or heavy mass fragments (HMFs), suggests the presence of a fine structure of fission fragments, which also need an experimental verification. The only parameter of the model is the neck length parameter ▵R whose value is shown to depend strongly on limiting angular momentum, which in turn depends on the use of sticking or nonsticking moment of inertia for angular momentum effects.

  10. Species-specific differences in peroxisome proliferation, catalase, and SOD2 upregulation as well as toxicity in human, mouse, and rat hepatoma cells induced by the explosive and environmental pollutant 2,4,6-trinitrotoluene.

    Science.gov (United States)

    Naumenko, Ekaterina Anatolevna; Ahlemeyer, Barbara; Baumgart-Vogt, Eveline

    2017-03-01

    2,4,6-Trinitrotoluene (TNT) has been widely used as an explosive substance and its toxicity is still of interest as it persisted in polluted areas. TNT is metabolized in hepatocytes which are prone to its toxicity. Since analysis of the human liver or hepatocytes is restricted due to ethical reasons, we investigated the effects of TNT on cell viability, reactive oxygen species (ROS) production, peroxisome proliferation, and antioxidative enzymes in human (HepG2), mouse (Hepa 1-6), and rat (H4IIEC3) hepatoma cell lines. Under control conditions, hepatoma cells of all three species were highly comparable exhibiting identical proliferation rates and distribution of their cell cycle phases. However, we found strong differences in TNT toxicity with the lowest IC50 values (highest cell death rate) for rat cells, whereas human and mouse cells were three to sevenfold less sensitive. Moreover, a strong decrease in cellular dehydrogenase activity (MTT assay) and increased ROS levels were noted. TNT caused peroxisome proliferation with rat hepatoma cells being most responsive followed by those from mouse and human. Under control conditions, rat cells contained fivefold higher peroxisomal catalase and mitochondrial SOD2 activities and a twofold higher capacity to reduce MTT than human and mouse cells. TNT treatment caused an increase in catalase and SOD2 mRNA and protein levels in human and mouse, but not in rat cells. Similarly, human and mouse cells upregulated SOD2 activity, whereas rat cells failed therein. We conclude that TNT induced oxidative stress, peroxisome proliferation and mitochondrial damage which are highest in rat cells rendering them most susceptible toward TNT. © 2016 Wiley Periodicals, Inc. Environ Toxicol 32: 989-1006, 2017. © 2016 Wiley Periodicals, Inc.

  11. In vitro drug combination studies of Letermovir (AIC246, MK-8228) with approved anti-human cytomegalovirus (HCMV) and anti-HIV compounds in inhibition of HCMV and HIV replication.

    Science.gov (United States)

    Wildum, Steffen; Zimmermann, Holger; Lischka, Peter

    2015-01-01

    Despite modern prevention and treatment strategies, human cytomegalovirus (HCMV) remains a common opportunistic pathogen associated with serious morbidity and mortality in immunocompromised individuals, such as transplant recipients and AIDS patients. All drugs currently licensed for the treatment of HCMV infection target the viral DNA polymerase and are associated with severe toxicity issues and the emergence of drug resistance. Letermovir (AIC246, MK-8228) is a new anti-HCMV agent in clinical development that acts via a novel mode of action and has demonstrated anti-HCMV activity in vitro and in vivo. For the future, drug combination therapies, including letermovir, might be indicated under special medical conditions, such as the emergence of multidrug-resistant virus strains in transplant recipients or in HCMV-HIV-coinfected patients. Accordingly, knowledge of the compatibility of letermovir with other HCMV or HIV antivirals is of medical importance. Here, we evaluated the inhibition of HCMV replication by letermovir in combination with all currently approved HCMV antivirals using cell culture checkerboard assays. In addition, the effects of letermovir on the antiviral activities of selected HIV drugs, and vice versa, were analyzed. Using two different mathematical techniques to analyze the experimental data, (i) additive effects were observed for the combination of letermovir with anti-HCMV drugs and (ii) no interaction was found between letermovir and anti-HIV drugs. Since none of the tested drug combinations significantly antagonized letermovir efficacy (or vice versa), our findings suggest that letermovir may offer the potential for combination therapy with the tested HCMV and HIV drugs. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

  12. Absorption of carbon dioxide, nitrous oxide, ethane and nitrogen by 1-alkyl-3-methylimidazolium (C(n)mim, n = 2,4,6) tris(pentafluoroethyl)trifluorophosphate ionic liquids (eFAP).

    Science.gov (United States)

    Almantariotis, D; Stevanovic, S; Fandiño, O; Pensado, A S; Padua, A A H; Coxam, J-Y; Costa Gomes, M F

    2012-07-05

    We measured the densities of 1-alkyl-3-methylimidazolium (C(n)mim, n = 2,4,6) tris(pentafluoroethyl)trifluorophosphate ionic liquids (eFAP) as a function of temperature and pressure and their viscosities as a function of temperature. These ionic liquids are less viscous than those based in the same cations but with other anions such as bis(trifluoromethylsulfonyl)imide. The ionic liquids studied are only partially miscible with water, their solubility increasing with the size of the alkyl side-chain of the cation and with temperature (from x(H(2)O) = 0.20 ± 0.03 for [C(4)mim][eFAP] at 303.10 K to x(H(2)O) = 0.49 ± 0.07 for [C(6)mim][eFAP] at 315.10 K). The solubility of carbon dioxide, nitrous oxide, ethane, and nitrogen in the three ionic liquids was measured as a function of temperature and at pressures close to atmospheric. Carbon dioxide and nitrous oxide are the more soluble gases with mole fraction solubilities of the order of 3 × 10(-2) at 303 K. The solubility of these gases does not increase linearly with the size of the alkyl-side chain of the cation. The solubilities of ethane and nitrogen are much lower than those of carbon dioxide and nitrous oxide (mole fractions 60% and 90% lower, respectively). The higher solubility of CO(2) and N(2)O can be explained by more favorable interactions between the solutes and the polar region of the ionic liquids as shown by the enthalpies of solvation determined experimentally and by the calculation of the site-site solute-solvent radial distribution functions using molecular simulation.

  13. Potassium monopersulfate oxidation of 2,4,6-tribromophenol catalyzed by a SiO2-supported iron(III)-5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin.

    Science.gov (United States)

    Zhu, Qianqian; Mizutani, Yusuke; Maeno, Shohei; Nishimoto, Ryo; Miyamoto, Takafumi; Fukushima, Masami

    2013-01-01

    Iron(III)-porphyrin complexes are generally regarded as green catalysts, since they mimic the catalytic center of cytochrome-P450 and widely used as green catalysts for degrading halogenated phenols in wastewater, such as landfill leachates. However, iron(III)-porphyrins are deactivated by self-oxidation in the presence of an oxygen donor, such as KHSO5. In the present study, to enhance the reusability of an iron(III)-porphyrin catalyst, iron(III)-5,10,15,20-tetrakis(4-carboxyphenyl) porphyrin (FeTCPP) was immobilized on a functionalized silica gel. The oxidative degradation of 2,4,6-tribromophenol (TrBP), a widely used brominated flame retardant that is found in landfill leachates, was examined using the prepared catalyst. In addition, the influence of humic substances (HSs), major components of leachates, on the TrBP oxidation was investigated. Concerning the effect of pH, more than 90% of the TrBP was degraded in the pH range of 3-8 in the absence of HS, while the optimal pH for the reaction was in the range of pH 5-7 in the presence of HS. Although the oxidation of TrBP was inhibited in the presence of HSs, more than 90% of the TrBP was degraded in the presence of 50 mg L(-1) of HS. Thus, the prepared catalyst, SiO2-FeTCPP, showed a high catalytic activity and could be reused up to 10 times even in the presence of HS.

  14. Rational Design of a Bifunctional, Two-Fold Interpenetrated ZnII-Metal-Organic Framework for Selective Adsorption of CO2and Efficient Aqueous Phase Sensing of 2,4,6-Trinitrophenol.

    Science.gov (United States)

    Singh Dhankhar, Sandeep; Sharma, Nayuesh; Kumar, Sandeep; Dhilip Kumar, T J; Nagaraja, C M

    2017-11-16

    A bifunctional, microporous Zn II metal-organic framework, [Zn 2 (NH 2 BDC) 2 (dpNDI)] n (MOF1) (where, NH 2 BDC=2-aminoterephthalic acid, dpNDI=N,N'-di(4-pyridyl)-1,4,5,8-naphthalenediimide) has been synthesized solvothermally. MOF1 shows an interesting two-fold interpenetrated, 3D pillar-layered framework structure composed of two types of 1D channels with dimensions of approximately 2.99×3.58 Å and 4.58×5.38 Å decorated with pendent -NH 2 groups. Owing to the presence of a basic functionalized pore surface, MOF1 exhibits selective adsorption of CO 2 with high value of heat of adsorption (Q st =46.5 kJ mol -1 ) which is further supported by theoretically calculated binding energy of 48.4 kJ mol -1 . Interestingly, the value of Q st observed for MOF1 is about 10 kJ mol -1 higher than that of analogues MOF with the benzene-1,4-dicarboxylic acid (BDC) ligand, which establishes the critical role of the -NH 2 group for CO 2 capture. Moreover, MOF1 exhibits highly selective and sensitive sensing of the nitroaromatic compound (NAC), 2,4,6-trinitrophenol (TNP) over other competing NACs through a luminescence quenching mechanism. The observed selectivity for TNP over other nitrophenols has been correlated to stronger hydrogen bonding interaction of TNP with the basic -NH 2 group of MOF1, which is revealed from DFT calculations. To the best of our knowledge, MOF1 is the first example of an interpenetrated Zn II -MOF exhibiting selective adsorption of CO 2 as well as efficient aqueous-phase sensing of TNP; investigated through combined experimental and theoretical studies. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Publications | Page 246 | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Malaria epidemics have occurred in the highlands of western Kenya since the late 1980s, often resulting in high rates of illness and death. ... The combination of poverty-related infectious and lifestyle-related non-communicable diseases, both driven by malnutrition including hidden hunger, causes a high burden for South ...

  16. 7 CFR 246.3 - Administration.

    Science.gov (United States)

    2010-01-01

    ... health nutrition, or dietetics; or (iv) Be qualified as a Senior Public Health Nutritionist under the... Regulations of the Department of Agriculture (Continued) FOOD AND NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS AND CHILDREN General...

  17. BDML Metadata: 246 [SSBD[Archive

    Lifescience Database Archive (English)

    Full Text Available CC BY-NC-SA 0.150 312657a9-b64c-4cd3-9d26-c19c00ae5a9b 0.105 x 0.105 x 0.5 (micrometer), 40 (second) http:/...l/Ce_KK_P002.pdpml0.05.xml http://ssbd.qbic.riken.jp/search/312657a9-b64c-4cd3-9d26-c19c00ae5a9b/ http://ssbd.qbic.riken.jp/omero/webclient/?show=dataset-204 ...

  18. 7 CFR 246.2 - Definitions.

    Science.gov (United States)

    2010-01-01

    ... separate bids for milk-based and soy-based infant formulas, all infant formulas issued under each contract... awarded the milk-based contract are considered contract brand infant formulas. Similarly, all of the soy... for soy-based infant formula, then all soy-based infant formulas covered by the subcontract are also...

  19. 7 CFR 246.10 - Supplemental foods.

    Science.gov (United States)

    2010-01-01

    ... lactose, sucrose, milk protein or soy protein that does not require the use of an exempt infant formula... medical documentation of the qualifying condition. Soy-based beverage and tofu can be substituted for milk... requires soy-based beverage, tofu, or additional cheese as a substitute for milk. Such determination can be...

  20. 7 CFR 246.26 - Other provisions.

    Science.gov (United States)

    2010-01-01

    ... intervention upon low-income individuals determined to be at nutritional risk. (d) Confidentiality of applicant... agency; and (iv) The type of participating organization, e.g., government agency, educational institution...

  1. 40 CFR 246.101 - Definitions.

    Science.gov (United States)

    2010-07-01

    ... handling, storage, sale, preparation, cooking, and serving of foods; commonly called garbage. (n... papers, miscellaneous business forms, stationery, typing paper, tablet sheets, and computer printout... description of the technical requirements for materials, products or services, identifying the minimum...

  2. N-(2,4,6-Trimethylphenylformamide

    Directory of Open Access Journals (Sweden)

    David C. Liles

    2011-01-01

    Full Text Available The title compound, C10H13NO, was obtained as the unexpected, almost exclusive, product in the attempted synthesis of a manganese(I–N-heterocyclic carbene (NHC complex. The dihedral angle between the planes of the formamide moiety and the aryl ring is 68.06 (10°. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming infinite chains along the c axis.

  3. Melaminium 2,4,6-trihydroxybenzoate dihydrate

    Directory of Open Access Journals (Sweden)

    Timothy J Prior

    2009-09-01

    Full Text Available In the title compound, C3H7N6+·C7H5O5−·2H2O, the melaminium and benzoate ions are approximately planar (r.m.s. deviation of the non-hydrogen atoms is 0.093 Å and there is a strong C22(8 hydrogen-bonding embrace between them. The centre of symmetry generates a second acid–base pair which is bound to the first by a C22(8 (N—H...N embrace common between melamine molecules in similar compounds. Further extensive hydrogen bonding assembles the components into a three-dimensional hydrogen-bonded network.

  4. 32 CFR 246.3 - Definitions.

    Science.gov (United States)

    2010-07-01

    .../publisher, the Stars and Stripes editor, the Director of the AFIS, and the Congress on matters of readership...) S&S Commander/Publisher. The senior position in each S&S responsible for simultaneously performing... publisher of the Stars and Stripes produced by that organization. (c) S&S Management Action Group (MAG) and...

  5. Publications | Page 246 | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Through books, articles, research publications, and studies, we aim to widen the impact of our investment and advance development research. We share the results of our funded research, ... Transnational marriage migration largely occurs outside the planning and control of the State. In both lines of domestic work, brokers.

  6. 7 CFR 246.27 - Program information.

    Science.gov (United States)

    2010-01-01

    ... Regulations of the Department of Agriculture (Continued) FOOD AND NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE... Causeway Street, room 501, Boston, Massachusetts 02222-1066. (b) Delaware, District of Columbia, Maryland..., Tennessee: U.S. Department of Agriculture, FNS, Southeast Region, 61 Forsyth Street, SW., room 8T36, Atlanta...

  7. 7 CFR 246.20 - Audits.

    Science.gov (United States)

    2010-01-01

    ... of the Department of Agriculture (Continued) FOOD AND NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS AND CHILDREN...'s review upon request. The cost of these audits shall be considered a part of nutrition services and...

  8. 43 CFR 2.46 - Definitions.

    Science.gov (United States)

    2010-10-01

    ... Department or a bureau thereof, including, but not limited to, education, financial transactions, medical... appeals. (i) Statistical records. As used in this subpart, “statistical records” means records in a system of records maintained for statistical research or reporting purposes only and not used in whole or in...

  9. 7 CFR 246.14 - Program costs.

    Science.gov (United States)

    2010-01-01

    ... the fulfillment of Program objectives are to be considered allowable costs. The two types of nutrition... to two hematological tests for anemia per individual per certification period. The first test shall be to determine anemia status. The second test may be performed only in follow up to a finding of...

  10. Neutron Protection Factor Determination and Validation for a Vehicle Surrogate Using a Californium Fission Source

    Science.gov (United States)

    2017-06-01

    a 4 mm x 4 mm (0.157" x 0.157") LiI(Eu) crystal with 96% enrichment of lithium -6. The crystal is connected to a photomultiplier tube (PMT) which...32 Figure 17. Lithium -6 Iodide, Europium Doped Scintillation Detector. Source: [27...Alamos National Laboratory LiI(Eu) Lithium Iodide Europium Doped LLD Low Level Discriminator LLNL Lawrence Livermore National Laboratory MASH Monte

  11. Anti-inflammatory activity of the artificial antioxidants 2-tert-butyl-4-methoxyphenol (BHA), 2,6-di-tert-butyl-4-methylphenol (BHT) and 2,4,6-tri-tert-butylphenol (TBP), and their various combinations.

    Science.gov (United States)

    Murakami, Yukio; Kawata, Akifumi; Katayama, Tadashi; Fujisawa, Seiichiro

    2015-01-01

    The artificial complex phenols, 2-tert-butyl-4-methoxyphenol (BHA), 2,6-di-tert-butyl-4-methylphenol (BHT) and 2,4,6-tri-tert-butylphenol (TBP) exert efficient antioxidant activity; however, they are considerable toxic and potentially tumor-promoting. These phenols, particularly in combinations, have enhanced antioxidant activity due to synergistic interactions and produce bioactive intermediates such as quinone methide. We investigated the anti-inflammatory activity of BHA, BHT and TBP, and combinations of BHT/BHA (in molar ratios of 1:1, 1:2, 1:3 and 2:1), BHT/TBP (1:1), and BHA/TBP (1:1), using gene-expression systems for cyclooxygenase-2 (Cox2) and tumor necrosis facto-alpha (Tnfa) in RAW264.7 cells. The inhibitory effects of BHA, BHT and TBP on expression of Cox2 and Tnfa genes upon stimulation with Escherichia coli lipopolysaccharide (LPS) or Porphyomonas gingivalis (Pg) fimbriae were determined using real-time polymerase chain reaction. The inhibitory effect on expression of Cox2 and Tnfa genes upon stimulation with LPS and fimbriae was greatly enhanced by the combination of two antioxidants (molar ratio 1:1), BHT/BHA. In addition, that of the Cox2 gene, but not of Tnfa gene was slightly enhanced by a combination of equimolar BHT/TBP and BHA/TBP. None of the antioxidants alone exerted any anti-inflammatory activity upon stimulation with LPS, but a slight anti-inflammatory activity was observed upon stimulation with Pg fimbriae. The inhibitory effect of the BHT/BHA combination on expression of Cox2 mRNA upon stimulation with LPS was investigated at afferent molar ratios, and a molar ratio of 1:1 was found to have considerably less effect than a molar ratio of 1:2 or 2:1. The 1:3 combination had no effect. The combination of BHT and BHA at a molar ratio of 0.5-2 exerts potent anti-inflammatory activity. This anti-inflammatory activity on the generation of inflammatory mediators in LPS-activated RAW264.7 cells may be attributable to complex synergistic

  12. Biological activity and physicochemical parameters of marine halogenated natural products 2,3,3',4,4',5,5'-heptachloro-1'-methyl-1,2'-bipyrrole and 2,4,6-tribromoanisole.

    Science.gov (United States)

    Vetter, W; Hahn, M E; Tomy, G; Ruppe, S; Vatter, S; Chahbane, N; Lenoir, D; Schramm, K-W; Scherer, G

    2005-01-01

    Physicochemical parameters (vapor pressure, water solubility, Henry's law constant) and biological activities of two halogenated natural products frequently detected in marine samples and food were determined. Synthetic 2,3,3',4,4',5,5'-heptachloro-1'-methyl-1,2'-bipyrrole (Q1) and 2,4,6-tribromoanisole (TBA) were available in pure form. The physicochemical parameters were in the range of anthropogenic chlorinated compounds of concern. The aqueous solubilities at 25 degrees C (S(w,25)) of Q1 and TBA were 4.6 microg/L and 12,200 microg/L, respectively, whereas subcooled liquid vapor pressures were 0.00168 Pa (Q1) and 0.06562 Pa (TBA) as measured by the gas chromatographic-retention time technique. Q1 was negative by established test systems for the determination of ethoxyresorufin-O-deethylase (EROD) induction and by sulforhodamine B assay. EROD induction potency was at least 10(-7) times lower than that of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD). At a relatively high concentration (20 microM), Q1 inhibited specific binding of 2 nM [(3)H]TCDD to the in vitro-expressed human aryl hydrocarbon receptor (AHR) by 18%; lower concentrations showed no effect. Molecular modeling showed that Q1 is nonplanar, consistent with its relatively modest affinity as an AHR ligand. When tested for cell-growth inhibitory/cytocidal activity in human tumor cells, Q1 was only marginally, if at all, active with an IC(50) value >50 microM compared with five to ten times lower IC(50) values for potent cytotoxins tested in the test system used. Furthermore, standard pesticide tests on insecticidal, herbicidal, and fungicidal activity did not provide any significant activity at highest concentrations. For TBA, the results in all tests were comparable with Q1. The SRB assay was also applied to the halogenated natural product 4,6-dibromo-2-(2',4'-dibromo)phenoxyanisole, but no toxic response was found. Although it was apparent that Q1 and TBA had been proven to have relatively low biological

  13. Differential sensitivity of aerobic gram-positive and gram-negative microorganisms to 2,4,6-trinitrotoluene (TNT) leads to dissimilar growth and TNT transformation: Results of soil and pure culture studies

    Energy Technology Data Exchange (ETDEWEB)

    Fuller, M.E.; Manning, J.F. Jr.

    1996-07-30

    The effects of 2,4,6-trinitrotoluene (TNT) on indigenous soil populations and pure bacterial cultures were examined. The number of colony-forming units (CFU) appearing when TNT-contaminated soil was spread on 0.3% molasses plates decreased by 50% when the agar was amended with 67 {mu}g TNT mL{sup -1}, whereas a 99% reduction was observed when uncontaminated soil was plated. Furthermore, TNT-contaminated soil harbored a greater number of organisms able to grow on plates amended with greater than 10 {mu}g TNT mL{sup -1}. The percentage of gram-positive isolates was markedly less in TNT-contaminated soil (7%; 2 of 30) than in uncontaminated soil (61%; 20 of 33). Pseudomonas aeruginosa, Pseudomonas corrugate, Pseudomonasfluorescens and Alcaligenes xylosoxidans made up the majority of the gram-negative isolates from TNT-contaminated soil. Gram-positive isolates from both soils demonstrated marked growth inhibition when greater than 8-16 {mu}g TNT mL{sup -1} was present in the culture media. Most pure cultures of known aerobic gram-negative organisms readily degraded TNT and evidenced net consumption of reduced metabolites. However, pure cultures of aerobic gram-positive bacteria were sensitive to relatively low concentrations of TNT as indicated by the 50% reduction in growth and TNT transformation which was observed at approximately 10 {mu}g TNT mL{sup -1}. Most non-sporeforming gram-positive organisms incubated in molasses media amended with 80 {mu}g TNT mL{sup -1} or greater became unculturable, whereas all strains tested remained culturable when incubated in mineral media amended with 98 {mu}g TNT mL{sup -1}, indicating that TNT sensitivity is likely linked to cell growth. These results indicate that gram-negative organisms are most likely responsible for any TNT transformation in contaminated soil, due to their relative insensitivity to high TNT concentrations and their ability to transform TNT.

  14. Elimination Reactions of (E)-2,4,6-Trinitrobenzaldehyde O-Benzoyloximes Promoted by R{sub 2}NH/R{sub 2}NH{sub 2}{sup +} in 70 mol% MeCN (aq). Effects of the β-Aryl Group and Leaving Group on Nitrile-Forming Transition States

    Energy Technology Data Exchange (ETDEWEB)

    Pyun, Sang Yong [Pukyong National University, Pusan (Korea, Republic of); Paik, Kyu Cheol; Han, Man So [Daejin University, Pocheon (Korea, Republic of); Cho, Bong Rae [Korea University, Seoul (Korea, Republic of)

    2016-06-15

    Elimination reactions of (E)-2,4,6-(NO{sub 2}){sub 3}C{sub 6}H{sub 2}CH=NOC(O)C{sub 6}H{sub 4}X (3) promoted by R{sub 2}NH/R{sub 2}NH{sub 2}{sup +} in 70 mol% MeCN (aq) have been studied. The reactions produced elimination products and exhibited second-order kinetics. The β and |β{sub lg}| values remained nearly the same for all leaving groups and bases. The results can be described by the negligible p{sub xy} interaction coefficient, p{sub xy} = ∂β/∂pK{sub lg} = ∂β{sub lg}/∂pK{sub BH} ≈ 0, which provides a strong support for the (E1cb){sub irr} mechanism. For eliminations from (E)-ArCH=NOC(O)C{sub 6}H{sub 4}X (1, 3) and (E)-2,4,6-(NO{sub 2}){sub 3}C{sub 6}H{sub 2}CH=NOAr' (2, 3), the change of the β-aryl group (Ar) from 2,4-dinitrophenyl (1) to 2,4,6-trinitrophenyl (3) increased the rate by 270-fold without appreciable change in the transition state structure. On the other hand, the leaving group (OAr') variation from benzoate (3) to 4-nitrophenoxy (2) induced a change in reaction mechanism from (E1cb){sub irr} to E2. These results have been attributed to the cyclic transition state for the nitrile-forming eliminations involving the benzoate leaving group.

  15. Magnetic solid-phase extraction based on a polydopamine-coated Fe3 O4 nanoparticles absorbent for the determination of bisphenol A, tetrabromobisphenol A, 2,4,6-tribromophenol, and (S)-1,1'-bi-2-naphthol in environmental waters by HPLC.

    Science.gov (United States)

    Li, Jia-Yuan; Long, Xing-Yu; Yin, He-Xing; Qiao, Jun-Qin; Lian, Hong-Zhen

    2016-07-01

    Polydopamine-coated Fe3 O4 magnetic nanoparticles synthesized through a facile solvothermal reaction and the self-polymerization of dopamine have been employed as a magnetic solid-phase extraction sorbent to enrich four phenolic compounds, bisphenol A, tetrabromobisphenol A, (S)-1,1'-bi-2-naphthol and 2,4,6-tribromophenol, from environmental waters followed by high-performance liquid chromatographic detection. Various parameters of the extraction were optimized, including the pH of the sample matrix, the amount of polydopamine-coated Fe3 O4 sorbent, the adsorption time, the enrichment factor of analytes, the elution solvent, and the reusability of the nanoparticles sorbent. The recoveries of these phenols in spiked water samples were 62.0-112.0% with relative standard deviations of 0.8-7.7%, indicating the good reliability of the magnetic solid-phase extraction with high-performance liquid chromatography method. In addition, the extraction characteristics of the magnetic polydopamine-coated Fe3 O4 nanoparticles were elucidated comprehensively. It is found that there are hydrophobic, π-π stacking and hydrogen bonding interactions between phenols and more dispersible polydopamine-coated Fe3 O4 in water, among which hydrophobic interaction dominates the magnetic solid-phase extraction performance. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Biodegradation of Nitro-Substituted Explosives 2,4,6-Trinitrotoluene, Hexahydro-1,3,5-Trinitro-1,3,5-Triazine, and Octahydro-1,3,5,7-Tetranitro-1,3,5-Tetrazocine by a Phytosymbiotic Methylobacterium sp. Associated with Poplar Tissues (Populus deltoides × nigra DN34)

    Science.gov (United States)

    Van Aken, Benoit; Yoon, Jong Moon; Schnoor, Jerald L.

    2004-01-01

    A pink-pigmented symbiotic bacterium was isolated from hybrid poplar tissues (Populus deltoides × nigra DN34). The bacterium was identified by 16S and 16S-23S intergenic spacer ribosomal DNA analysis as a Methylobacterium sp. (strain BJ001). The isolated bacterium was able to use methanol as the sole source of carbon and energy, which is a specific attribute of the genus Methylobacterium. The bacterium in pure culture was shown to degrade the toxic explosives 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazene (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5-tetrazocine (HMX). [U-ring-14C]TNT (25 mg liter−1) was fully transformed in less than 10 days. Metabolites included the reduction derivatives amino-dinitrotoluenes and diamino-nitrotoluenes. No significant release of 14CO2 was recorded from [14C]TNT. In addition, the isolated methylotroph was shown to transform [U-14C]RDX (20 mg liter−1) and [U-14C]HMX (2.5 mg liter−1) in less than 40 days. After 55 days of incubation, 58.0% of initial [14C]RDX and 61.4% of initial [14C]HMX were mineralized into 14CO2. The radioactivity remaining in solution accounted for 12.8 and 12.7% of initial [14C]RDX and [14C]HMX, respectively. Metabolites detected from RDX transformation included a mononitroso RDX derivative and a polar compound tentatively identified as methylenedinitramine. Since members of the genus Methylobacterium are distributed in a wide diversity of natural environments and are very often associated with plants, Methylobacterium sp. strain BJ001 may be involved in natural attenuation or in situ biodegradation (including phytoremediation) of explosive-contaminated sites. PMID:14711682

  17. Biodegradation of nitro-substituted explosives 2,4,6-trinitrotoluene, hexahydro-1,3,5-trinitro-1,3,5-triazine, and octahydro-1,3,5,7-tetranitro-1,3,5-tetrazocine by a phytosymbiotic Methylobacterium sp. associated with poplar tissues (Populus deltoides x nigra DN34).

    Science.gov (United States)

    Van Aken, Benoit; Yoon, Jong Moon; Schnoor, Jerald L

    2004-01-01

    A pink-pigmented symbiotic bacterium was isolated from hybrid poplar tissues (Populus deltoides x nigra DN34). The bacterium was identified by 16S and 16S-23S intergenic spacer ribosomal DNA analysis as a Methylobacterium sp. (strain BJ001). The isolated bacterium was able to use methanol as the sole source of carbon and energy, which is a specific attribute of the genus Methylobacterium. The bacterium in pure culture was shown to degrade the toxic explosives 2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazene (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5-tetrazocine (HMX). [U-ring-(14)C]TNT (25 mg liter(-1)) was fully transformed in less than 10 days. Metabolites included the reduction derivatives amino-dinitrotoluenes and diamino-nitrotoluenes. No significant release of (14)CO(2) was recorded from [(14)C]TNT. In addition, the isolated methylotroph was shown to transform [U-(14)C]RDX (20 mg liter(-1)) and [U-(14)C]HMX (2.5 mg liter(-1)) in less than 40 days. After 55 days of incubation, 58.0% of initial [(14)C]RDX and 61.4% of initial [(14)C]HMX were mineralized into (14)CO(2). The radioactivity remaining in solution accounted for 12.8 and 12.7% of initial [(14)C]RDX and [(14)C]HMX, respectively. Metabolites detected from RDX transformation included a mononitroso RDX derivative and a polar compound tentatively identified as methylenedinitramine. Since members of the genus Methylobacterium are distributed in a wide diversity of natural environments and are very often associated with plants, Methylobacterium sp. strain BJ001 may be involved in natural attenuation or in situ biodegradation (including phytoremediation) of explosive-contaminated sites.

  18. 29 CFR 1952.246 - Changes to approved plans.

    Science.gov (United States)

    2010-07-01

    ... Regulations Relating to Labor (Continued) OCCUPATIONAL SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR... October 24, 1985. (4) The State submitted an amendment to its legislation and field procedures which... Assistant Secretary approved these changes on October 24, 1985. (b) Legislation. (1) On March 29, 1994, the...

  19. 48 CFR 1652.246-70 - FEHB Inspection.

    Science.gov (United States)

    2010-10-01

    ..., including its payment (including rebate and other financial arrangements) and performance provisions. The... Contracting officer, performs inspection, audit or evaluation on the premises of the carrier, the... to furnish all reasonable facilities for the same and convenient performance of these duties. (d) The...

  20. Water Quality Criteria for 2,4,6-Trinitrotoluene (TNT)

    Science.gov (United States)

    1987-08-01

    included depressed weight gain, mild to moderate anemia, enlarged livers and spleens, some testicular atrophy, and hemosiderosis of the spleen. A...weight gain, mild to moderate anemia, enlarged livers and spleens, some testicular atrophy, and hemosiderosis of the spleen. These studies parallel many of...testicular atrophy, and hemosiderosis of the spleen. This study parallels many of the human case history reports, indicating anemia (usually hemolytic

  1. 48 CFR 246.407 - Nonconforming supplies or services.

    Science.gov (United States)

    2010-10-01

    ... SYSTEM, DEPARTMENT OF DEFENSE CONTRACT MANAGEMENT QUALITY ASSURANCE Government Contract Quality Assurance... after acceptance, the defect appears to be the fault of the contractor, any warranty has expired, and...

  2. 7 CFR 246.15 - Program income other than grants.

    Science.gov (United States)

    2010-01-01

    ....15 Agriculture Regulations of the Department of Agriculture (Continued) FOOD AND NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS... is used for program purposes. (b) Other Program income. The State agency may use current program...

  3. Dicty_cDB: SLC246 [Dicty_cDB

    Lifescience Database Archive (English)

    Full Text Available adsnkdnkitwdearqyfi tsgsneaqakvlansmfedvdsdddkcitreelreyaieyfeiypte*lfp*k*SQFKSV LK--- ---QRFSPGGPWG...adsnkdnkitwdearqyfi tsgsneaqakvlansmfedvdsdddkcitreelreyaieyfeiypte*lfp*k*SQFKSV LK--- ---akgfpredlg

  4. 7 CFR 246.12 - Food delivery systems.

    Science.gov (United States)

    2010-01-01

    ... necessarily limited to, advertising the availability of prohibited incentive items. (A) The State agency may...” means Infant formula, Contract brand infant formula and Non-contract brand infant formula as defined in... brand and size as the original authorized supplemental food item obtained and returned by the...

  5. 48 CFR 252.246-7001 - Warranty of data.

    Science.gov (United States)

    2010-10-01

    ... contract entitled, Rights in Technical Data and Computer Software. (b) Warranty. Notwithstanding inspection... after completion of the delivery of the line item of data (as identified in DD Form 1423, Contract Data... paragraph (d)(3) of this clause shall not apply— (A) With respect to the requirements for product drawings...

  6. 7 CFR 246.6 - Agreements with local agencies.

    Science.gov (United States)

    2010-01-01

    ... agreements with health care providers when health services are provided through referral; (6) Provides... specific criteria used to determine nutritional risk; and (10) Does not discriminate against persons on the... agency. The agreement shall be approved by the State agency during the application process and shall be...

  7. 42 CFR 24.6 - Pay and compensation.

    Science.gov (United States)

    2010-10-01

    ...) Salary surveys of similar skills in pertinent labor markets; and (7) Other relevant factors. (e) Annual... of an institution of higher education immediately prior to his appointment as a member of the Service... Executive Schedule unless a higher rate of pay is expressly approved on an individual basis by the President...

  8. Phenotype-gene: 246 [Arabidopsis Phenome Database[Archive

    Lifescience Database Archive (English)

    Full Text Available during process named death in environment of continuous dark (no light) regimen for AT2G43400 Ishizaki Kimi...16055629i decreased time during process named death in environment of continuous dark (no light) regimen

  9. 7 CFR 246.16a - Infant formula cost containment.

    Science.gov (United States)

    2010-01-01

    ... preceding 12-month period shall issue separate bid solicitations for milk-based and soy-based infant formula... participation data. (vi) Infant formula usage rates by type (e.g., milk-based or soy-based), form (e.g... that do not produce a soy-based infant formula to subcontract with another manufacturer to supply a soy...

  10. (E-4-Chloro-N-(2,4,6-trimethylbenzylideneaniline

    Directory of Open Access Journals (Sweden)

    Ying Guo

    2011-08-01

    Full Text Available In the title compound, C16H16ClN, the dihedral angle between the benzene rings is 24.61 (13°. In the crystal, only van der Waals interactions occur between neighbouring molecules.

  11. 1935 15' Quad #246 Aerial Photo Mosaic Index

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — Aerial Photo Reference Mosaics contain aerial photographs that are retrievable on a frame by frame basis. The inventory contains imagery from various sources that...

  12. 7 CFR 246.1 - General purpose and scope.

    Science.gov (United States)

    2010-01-01

    ... occurrence of health problems, including drug and other harmful substance abuse, and to improve the health... children from families with inadequate income are at special risk with respect to their physical and mental... AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS AND CHILDREN...

  13. Analytical Chemistry of 2,4,6-Trinitrotoluene

    Science.gov (United States)

    1980-10-01

    samples of TNT, TNB, tetryl, RDX, HMX , and PETN (ref 36). The differential thermal analysis thermograms of TNT showing varying rapidity of heat... polymorphic or polytypic behavior near the melting point of TNT (ref 38). The thermal properties of TNT have also been reported by Maycock (ref 39...A LC method suitable for the low level determination of tetryl in the presence of TNT, RDX, and HMX is described (ref 105). The adsorptive LC of

  14. Dicty_cDB: SSJ246 [Dicty_cDB

    Lifescience Database Archive (English)

    Full Text Available ifihf*kkkkkkkkkkkkkkkk Translated Amino Acid sequence (All Frames) Frame A: kl*nviqiitinhkc*lnpkesnffnfsrkhtik**cstlrccstccnsrfid...nfsrkhtik**cstlrccstccnsrfidccrccsy lnlqriln*liihilipweifenlivylinn*LYLLIFKKKKKKK...AAAAAAAAAAAAAAAAAAAAAAAA sequence update 1998.12.21 Translated Amino Acid sequence kl*nviqiitinhkc*lnpkesnff

  15. 40 CFR 246.200-3 - Recommended procedures: Market study.

    Science.gov (United States)

    2010-07-01

    ... minimum: (a) Identifying potential purchasers of the recovered paper through standard market research... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended procedures: Market study...) SOLID WASTES SOURCE SEPARATION FOR MATERIALS RECOVERY GUIDELINES Requirements and Recommended Procedures...

  16. 40 CFR 246.201-4 - Recommended procedures: Market study.

    Science.gov (United States)

    2010-07-01

    ... at a minimum: (a) Identifying potential purchasers of the recovered material through standard market... buyer will pay for the recovered material and the willingness of the buyer -to sign a contract for the... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended procedures: Market study...

  17. 40 CFR 246.202-3 - Recommended procedures: Market study.

    Science.gov (United States)

    2010-07-01

    ...: (a) Identifying potential purchasers of the recovered corrugated through standard market research... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Recommended procedures: Market study...) SOLID WASTES SOURCE SEPARATION FOR MATERIALS RECOVERY GUIDELINES Requirements and Recommended Procedures...

  18. An Assessment of surgical outcome amongst 246 cataract ...

    African Journals Online (AJOL)

    Windows2G

    existing ocular disease in. 10.8% of the ..... transportation difficulties often encountered by many patients travelling long distances from their homes ... to prevent proliferation and spreading of equatorial lens fibres to the posterior capsule. The post ...

  19. An Assessment of surgical outcome amongst 246 cataract ...

    African Journals Online (AJOL)

    Windows2G

    ensures that the patient has adequate post op vision for his needs. Adequate ... to lack of awareness of the cataract blind, fear of ... comparing outcome of care using ICCE/ ECCE to that ... Chloranphenicol or Gentamycin, oral diazepam 5mg at.

  20. 7 CFR 246.7 - Certification of participants.

    Science.gov (United States)

    2010-01-01

    ... by a 24-hour dietary recall, dietary history, or food frequency checklist; and (iv) Conditions that... clinic office hours to request Program benefits. For those State agencies establishing procedures to... agency during clinic office hours to make an oral or written request for Program benefits. To ensure that...

  1. 32 CFR Appendix A to Part 246 - Mission

    Science.gov (United States)

    2010-07-01

    ...-sponsored regional and local media pools. ... readers, the Stars and Stripes shall pay special attention to news of local, host-country conditions relevant to their audiences. They shall provide, through their reporters and bureaus, news of local...

  2. 7 CFR 246.25 - Records and reports.

    Science.gov (United States)

    2010-01-01

    ... Regulations of the Department of Agriculture (Continued) FOOD AND NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS AND CHILDREN..., equipment purchases and inventory, certification, nutrition education, civil rights and fair hearing...

  3. 7 CFR 246.23 - Claims and penalties.

    Science.gov (United States)

    2010-01-01

    ... Agriculture Regulations of the Department of Agriculture (Continued) FOOD AND NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS AND CHILDREN... otherwise, that any Program funds provided to a State agency for supplemental foods or nutrition services...

  4. Dicty_cDB: VFD246 [Dicty_cDB

    Lifescience Database Archive (English)

    Full Text Available (bits) Value (Q8R242) RecName: Full=Di-N-acetylchitobiase; EC=3.2.1.... 258 2e-67 BC088895_1( BC088895 |pid:none)...rerio chitobiase, di-N-acety... 244 3e-63 BC095064_1( BC095064 |pid:none) Danio rerio chitobiase, di-N-acety...rerio chitobiase, di-N-acety... 243 1e-62 BC022594_1( BC022594 |pid:none) Mus musculus chitobiase, di-N-acet

  5. preparation and nucleophilic substitution of the 2,4,6

    African Journals Online (AJOL)

    Mgina

    acid ammonium chlorides and tosylates in solution of sodium azide in aprotic solvents gave optically active chloro and tosyl compounds instead of the ... 1998). DME and THF were distilled under nitrogen from sodium benzophenone ketyl ..... Diversity of a Unique Class of Compounds. Angt. Chem. Intl. Edt. 44: 5188 – 5240.

  6. Dicty_cDB: SHI246 [Dicty_cDB

    Lifescience Database Archive (English)

    Full Text Available 111 length of database: 80,480,566 effective HSP length: 17 effective length of query: 94 effective length o...f database: 78,821,179 effective search space: 7409190826 effective search space used: 7409190826 T: 0 A: 0 ...han 10.0: 0 length of query: 111 length of database: 61,358,773,460 effective HSP length: 22 effective length of query: 89 effective... length of database: 60,109,362,660 effective search space: 5349733276740 effective

  7. 7 CFR 246.19 - Management evaluation and monitoring reviews.

    Science.gov (United States)

    2010-01-01

    ... SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR... evaluation system in order to assess the accomplishment of Program objectives as provided under this part.... (2) Monitoring of local agencies must encompass evaluation of management, certification, nutrition...

  8. 7 CFR 246.16 - Distribution of funds.

    Science.gov (United States)

    2010-01-01

    ... technical assistance and research evaluation projects for the WIC Farmers' Market Nutrition Program. (b... Agriculture Regulations of the Department of Agriculture (Continued) FOOD AND NUTRITION SERVICE, DEPARTMENT OF AGRICULTURE CHILD NUTRITION PROGRAMS SPECIAL SUPPLEMENTAL NUTRITION PROGRAM FOR WOMEN, INFANTS AND CHILDREN...

  9. All projects related to | Page 246 | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Topic: TAX REVENUES, TOBACCO INDUSTRY, MORTALITY DECLINE, DISEASES, HEALTH INDICATORS, ECONOMIC ASPECTS. Region: North and Central America, South America, Argentina, Bolivia, Brazil, Chile, Colombia, Mexico, Peru. Program: Food, Environment, and Health. Total Funding: CA$ 123,600.00.

  10. Hypericin from St. John's Wort (hypericum perforatum) as a novel natural fluorophore for chemiluminescence reaction of bis (2,4,6-trichlorophenyl) oxalate-H{sub 2}O{sub 2}-imidazole and quenching effect of some natural lipophilic hydrogen peroxide scavengers

    Energy Technology Data Exchange (ETDEWEB)

    Kazemi, Sayed Yahya [Department of Basic Sciences, Sari Agricultural Sciences and Natural Resources University, P.O. Box 578, Sari (Iran, Islamic Republic of); Abedirad, Seyed Mohammad, E-mail: mabedirad@yahoo.com [Department of Basic Sciences, Sari Agricultural Sciences and Natural Resources University, P.O. Box 578, Sari (Iran, Islamic Republic of); Zali, Seyed Hassan; Amiri, Mohadeseh [Department of Range and Watershed Management, Sari Agricultural Sciences and Natural Resources University, P.O. Box 578, Sari (Iran, Islamic Republic of)

    2012-05-15

    Hypericin (HYP) molecule is a natural photoactive pigment, which plays a role as an effective photoreceptor in some plants of the Hypericum species (the most common of which is Saint John's Wort) and some insect species. The present work deals with the first attempt to the study of peroxyoxalate chemiluminescence (POCL) system in the presense of HYP as a natural fluorophore. Reaction of bis (2,4,6-trichlorophenyl) oxalate(TCPO)-H{sub 2}O{sub 2}-imidazole can transfer energy to a HYP via formation of dioxetane through the chemically initiated electron exchange luminescence (CIEEL) mechanism and can emits a very intense red light. The effects of HYP, hydrogen peroxide, TCPO and imidazole concentrations on kinetic chemiluminescence parameters were also studied. These parameters including rise and fall rate constant for the chemiluminescence burst, theoretical and experimental maximum intensity, theoretical and experimental time to reach maximum intensity and total light yield emission were evaluated by using a pooled intermediate model for a non-linear least-squares curve fitting program, KINFIT. Moreover, quenching effect of two lipophilic natural antioxidant, Quercetin and {beta}-carotene on it system was also investigated. The measurable concentration range of 7 Multiplication-Sign 10{sup -6} M to 7.5 Multiplication-Sign 10{sup -5} M of antioxidants were evaluated from the proper Stern-Volmer plots with satisfactory RSD% and corresponding detection limits of 2.2 Multiplication-Sign 10{sup -6} and 3.7 Multiplication-Sign 10{sup -6} for {beta}-carotene and quercetin respectively. - Highlights: Black-Right-Pointing-Pointer Red fluorophores may therefore chemiluminescence more intensely than other commonly chemiluminophores and emits light in longer wavelengths. Black-Right-Pointing-Pointer Hypericin from St. John's wort (hypericum perforatum) as natural red fluorophore for peroxyoxalate chemiluminescence was introduced. Black-Right-Pointing-Pointer Quenching

  11. Carbon cluster formation during thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-triamino-2,4,6-trinitrobenzene high explosives from ReaxFF reactive molecular dynamics simulations.

    Science.gov (United States)

    Zhang, Luzheng; Zybin, Sergey V; van Duin, Adri C T; Dasgupta, Siddharth; Goddard, William A; Kober, Edward M

    2009-10-08

    We report molecular dynamics (MD) simulations using the first-principles-based ReaxFF reactive force field to study the thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) at various densities and temperatures. TATB is known to produce a large amount (15-30%) of high-molecular-weight carbon clusters, whereas detonation of nitramines such as HMX and RDX (1,3,5-trinitroperhydro-1,3,5-triazine) generate predominantly low-molecular-weight products. In agreement with experimental observation, these simulations predict that TATB decomposition quickly (by 30 ps) initiates the formation of large carbonaceous clusters (more than 4000 amu, or approximately 15-30% of the total system mass), and HMX decomposition leads almost exclusively to small-molecule products. We find that HMX decomposes readily on this time scale at lower temperatures, for which the decomposition rate of TATB is about an order of magnitude slower. Analyzing the ReaxFF MD results leads to the detailed atomistic structure of this carbon-rich phase of TATB and allows characterization of the kinetics and chemistry related to this phase and their dependence on system density and temperature. The carbon-rich phase formed from TATB contains mainly polyaromatic rings with large oxygen content, leading to graphitic regions. We use these results to describe the initial reaction steps of thermal decomposition of HMX and TATB in terms of the rates for forming primary and secondary products, allowing comparison to experimentally derived models. These studies show that MD using the ReaxFF reactive force field provides detailed atomistic information that explains such macroscopic observations as the dramatic difference in carbon cluster formation between TATB and HMX. This shows that ReaxFF MD captures the fundamental differences in the mechanisms of such systems and illustrates how the ReaxFF may be applied to model complex chemical phenomena

  12. Chemistry of the oxophosphinidene ligand. 1. Electronic structure of the anionic complexes [MCp{P(O)R*}(CO)(2)](-) (M = Mo, W; R* = 2,4,6-C(6)H(2)(t)Bu(3)) and their reactions with H(+) and C-based electrophiles.

    Science.gov (United States)

    Alonso, María; Alvarez, M Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A

    2010-10-04

    The anionic phosphide-bridged complexes (H-DBU)[M(2)Cp(2)(μ-PHR*)(CO)(4)] (M = Mo, W; R* = 2,4,6-C(6)H(2)(t)Bu(3); Cp = η(5)-C(5)H(5), DBU = 1,8-diazabicyclo [5.4.0] undec-7-ene) react with molecular oxygen to give the corresponding oxophosphinidene complexes (H-DBU)[MCp{P(O)R*}(CO)(2)] as major products (Mo-P = 2.239(1) Å for the Mo complex). The latter anionic complexes are protonated by HBF(4)·OEt(2) to give the hydroxyphosphide derivatives [MCp{P(OH)R*}(CO)(2)]. In the presence of excess acid, the molybdenum complex yields the fluorophosphide complex [MoCp(PFR*)(CO)(2)] (Mo-P = 2.204(1) Å), while the tungsten compound reacts with excess HCl to give an unstable chlorophosphine complex [WCpCl(PHClR*)(CO)(2)] which is rapidly hydrolyzed to give [WCpCl{PH(OH)R*}(CO)(2)], having a complexed arylphosphinous acid (Mo-P = 2.460(2) Å). The molybdenum anion reacts with strong C-based electrophiles such as [Me(3)O]BF(4), Et(2)SO(4), C(2)H(3)C(O)Cl, and PhC(O)Cl to give the corresponding alkoxyphosphide derivatives [MoCp{P(OR)R*}(CO)(2)] (R = Me, Et, COC(2)H(3), COPh; Mo-P = 2.197(2) Å for the benzoyl compound), as a result of the attack of the electrophile at the O atom of the oxophosphinidene ligand. In contrast, the reactions with milder alkylating reagents such as the alkyl halides MeI, EtI, C(3)H(5)Br, and C(3)H(3)Br give selectively the corresponding κ(2)-phosphinite complexes [MoCp{κ(2)-OP(R)R*}(CO)(2)] [R = Me, Et, C(3)H(5), C(3)H(3); Mo-P = 2.3733(5) Å for the allyl compound] as a result of the attack of the electrophile at the P atom of the oxophosphinidene ligand. According to density functional theory (DFT) calculations, the oxygen atom of the phosphinidene ligand bears the highest negative charge in the molybdenum anion, while the highest occupied molecular orbital (HOMO) of this complex has substantial Mo-P π bonding character. Thus, it is concluded that the phosphinite complexes are formed under conditions of orbital control, while charge

  13. Anonimi, “Ges al meu grat non sui joglar” (BdT 461.126, “Per zo no·m voil desconortar” (BdT 461.193, “Va, cobla: al Juge de Galur” (BdT 461.246, “Seigner Juge, ben aug dir a la gen” (BdT 461.217, “Ges per li diz non er bons prez sabuz” (BdT 461.133

    Directory of Open Access Journals (Sweden)

    Giuseppe Noto

    2012-09-01

    Full Text Available My paper provides a new critical edition, with critical apparatus, comment and translation of a set of anonymous ‘coblas’, copied as a sequence in the anthology present at ff. 55-66 in chansonnier P: BdT 461.126; BdT 461.193; BdT 461.246; BdT 461.217; BdT 461.133 (all of which are unica. I will examine in particular the attributions suggested so far for one or more of these ‘coblas’ (a name that has frequently been put forward is that of Paolo Lanfranchi da Pistoia, author of the sonnet in ‘cobla’ form copied in P immediately preceding the poems discussed here and address the hypothesis put forward by several scholars (and upheld with convincing evidence by Stefano Asperti that the sequence under consideration points to the strong presence of a Tuscan tradition in chansonnier P, clearly contributing, among other things, to outline a “fundamental coherence” (Asperti between some aspects of Dante’s literary culture and this particular songbook.

  14. A retrospective study of californium-252 neutron brachytherapy combined with EBRT versus 3D-CRT in the treatment of esophageal squamous cell cancer.

    Science.gov (United States)

    Wang, Qifeng; Li, Tao; Lang, Jinyi; Wang, Jie; Wang, Jian; Liu, Huiming; Jia, Xitang; Liu, Bo; Wang, C-K Chris

    2015-10-24

    We conducted a retrospective analysis on 884 patients who were diagnosed with esophageal squamous cell carcinoma (ESCC) and treated with either the neutron brachytherapy in combination with external beam radiotherapy (NBT + EBRT) or 3-dimensional conformal radiation therapy (3D-CRT) to determine the differences in efficacy and morbidity between the two treatment groups. The 884 ESCC patients treated with either NBT + EBRT or 3D-CRT between 2002 and 2012 were retrospectively reviewed and analyzed. Multivariable Cox regression was used to compare oncologic outcomes of the two groups of patients in the context of other clinically relevant variables. The acute and chronic toxicities associated with the two groups were compared using Fisher exact and log-rank tests, respectively. Among the 884 patients, 545 received NBT + EBRT and 339 received 3D-CRT (i.e. EBRT-only). The age range is 39-95 years (median 66). The follow-up time range is 3-145 months (median 32). The analysis shows that the NBT + EBRT group has higher overall survival rate and local control rate than that of the 3D-CRT group. The acute toxicity effects were acceptable for both groups of patients with the NBT + EBRT group showing higher rates of leukopenia and thrombocytopenia and the 3D-CRT group showing higher rates on fistula and massive bleeding. The patients treated with NBT + EBRT showed better oncologic outcomes than those treated with 3D-CRT. The toxicity effects were acceptable for both groups with the NBT + EBRT group showing higher rates on the acute effects and the 3D-CRT group showing higher rates on the late effects.

  15. Accurate determination of Curium and Californium isotopic ratios by inductively coupled plasma quadrupole mass spectrometry (ICP-QMS) in 248Cm samples for transmutation studies

    Energy Technology Data Exchange (ETDEWEB)

    Gourgiotis, A.; Isnard, H.; Aubert, M.; Dupont, E.; AlMahamid, I.; Cassette, P.; Panebianco, S.; Letourneau, A.; Chartier, F.; Tian, G.; Rao, L.; Lukens, W.

    2011-02-01

    The French Atomic Energy Commission has carried out several experiments including the mini-INCA (INcineration of Actinides) project for the study of minor-actinide transmutation processes in high intensity thermal neutron fluxes, in view of proposing solutions to reduce the radiotoxicity of long-lived nuclear wastes. In this context, a Cm sample enriched in {sup 248}Cm ({approx}97 %) was irradiated in thermal neutron flux at the High Flux Reactor (HFR) of the Laue-Langevin Institute (ILL). This work describes a quadrupole ICP-MS (ICP-QMS) analytical procedure for precise and accurate isotopic composition determination of Cm before sample irradiation and of Cm and Cf after sample irradiation. The factors that affect the accuracy and reproducibility of isotopic ratio measurements by ICP-QMS, such as peak centre correction, detector dead time, mass bias, abundance sensitivity and hydrides formation, instrumental background, and memory blank were carefully evaluated and corrected. Uncertainties of the isotopic ratios, taking into account internal precision of isotope ratio measurements, peak tailing, and hydrides formations ranged from 0.3% to 1.3%. This uncertainties range is quite acceptable for the nuclear data to be used in transmutation studies.

  16. Radiological Characterization Technical Report on Californium-252 Sealed Source Transuranic Debris Waste for the Off-Site Source Recovery Project at Los Alamos National Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Feldman, Alexander [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-04-24

    This document describes the development and approach for the radiological characterization of Cf-252 sealed sources for shipment to the Waste Isolation Pilot Plant. The report combines information on the nuclear material content of each individual source (mass or activity and date of manufacture) with information and data on the radionuclide distributions within the originating nuclear material. This approach allows for complete and accurate characterization of the waste container without the need to take additional measurements. The radionuclide uncertainties, developed from acceptable knowledge (AK) information regarding the source material, are applied to the summed activities in the drum. The AK information used in the characterization of Cf-252 sealed sources has been qualified by the peer review process, which has been reviewed and accepted by the Environmental Protection Agency.

  17. Crystal structures of N-(4-chlorophenyl-2-[(4,6-diaminopyrimidin-2-ylsulfanyl]acetamide and N-(3-chlorophenyl-2-[(4,6-diaminopyrimidin-2-ylsulfanyl]acetamide

    Directory of Open Access Journals (Sweden)

    S. Subasri

    2017-04-01

    Full Text Available The title compounds, C12H12ClN5OS, (I, and C12H12ClN5OS, (II, are 2-[(diaminopyrimidin-2-ylsulfanyl]acetamides. Compound (II, crystallizes with two independent molecules (A and B in the asymmetric unit. In each of the molecules, in both (I and (II, an intramolecular N—H...N hydrogen bond forms an S(7 ring motif. The pyrimidine ring is inclined to the benzene ring by 42.25 (14° in (I, and by 59.70 (16 and 62.18 (15° in molecules A and B, respectively, of compound (II. In the crystal of (I, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with an R22(8 ring motif. The dimers are linked via bifurcated N—H...O and C—H...O hydrogen bonds, forming corrugated layers parallel to the ac plane. In the crystal of (II, the A molecules are linked through N—H...O and N—H...Cl hydrogen bonds, forming layers parallel to (100. The B molecules are also linked by N—H...O and N—H...Cl hydrogen bonds, also forming layers parallel to (100. The parallel layers of A and B molecules are linked via N—H...N hydrogen bonds, forming a three-dimensional structure.

  18. Rubidium 2,4,6-trioxo-1,3-diazinan-5-ide–1,3-diazinane-2,4,6-trione–water (1/1/1

    Directory of Open Access Journals (Sweden)

    Marlena Gryl

    2011-05-01

    Full Text Available The asymmetric unit of the title compound, Rb+·C4H3N2O3−·C4H4N2O3·H2O, consists of one rubidium cation, a barbituric acid molecule, a barbiturate anion and one water molecule. The rubidium ion has seven close-contact interactions with O atoms, with Rb...O distances ranging from 2.8594 (16 to 3.2641 (14 Å. These seven O atoms together with an eighth O atom at 3.492 (2 Å away from Rb form a distorted polyhedron with shape intermediate between an antiprism and a dodecahedron. The Rb+ ions connect layers built of organic components and water molecules linked via N—H...O and O—H...O hydrogen bonds.

  19. A Computer Laboratory for Elementary Schools. Artificial Intelligence Memo Number 246.

    Science.gov (United States)

    Papert, Seymour

    This proposal describes a project whose objective is the development of new methods and materials for elementary school teaching in the computer age. In the long run, it is hoped that children will experience greater intellectual growth than generally thought possible. Computers will remove artificial barriers between disciplines and stimulate…

  20. SU-F-T-246: Evaluation of Healthcare Failure Mode And Effect Analysis For Risk Assessment

    Energy Technology Data Exchange (ETDEWEB)

    Harry, T [Oregon State University, Corvallis, OR (United States); University of California, San Diego, La Jolla, CA (United States); Manger, R; Cervino, L; Pawlicki, T [University of California, San Diego, La Jolla, CA (United States)

    2016-06-15

    Purpose: To evaluate the differences between the Veteran Affairs Healthcare Failure Modes and Effect Analysis (HFMEA) and the AAPM Task Group 100 Failure and Effect Analysis (FMEA) risk assessment techniques in the setting of a stereotactic radiosurgery (SRS) procedure were compared respectively. Understanding the differences in the techniques methodologies and outcomes will provide further insight into the applicability and utility of risk assessments exercises in radiation therapy. Methods: HFMEA risk assessment analysis was performed on a stereotactic radiosurgery procedure. A previous study from our institution completed a FMEA of our SRS procedure and the process map generated from this work was used for the HFMEA. The process of performing the HFMEA scoring was analyzed, and the results from both analyses were compared. Results: The key differences between the two risk assessments are the scoring criteria for failure modes and identifying critical failure modes for potential hazards. The general consensus among the team performing the analyses was that scoring for the HFMEA was simpler and more intuitive then the FMEA. The FMEA identified 25 critical failure modes while the HFMEA identified 39. Seven of the FMEA critical failure modes were not identified by the HFMEA and 21 of the HFMEA critical failure modes were not identified by the FMEA. HFMEA as described by the Veteran Affairs provides guidelines on which failure modes to address first. Conclusion: HFMEA is a more efficient model for identifying gross risks in a process than FMEA. Clinics with minimal staff, time and resources can benefit from this type of risk assessment to eliminate or mitigate high risk hazards with nominal effort. FMEA can provide more in depth details but at the cost of elevated effort.

  1. 2,4,6-Trinitro-N-[4-(phenyldiazenylphenyl]aniline

    Directory of Open Access Journals (Sweden)

    Graham Smith

    2011-04-01

    Full Text Available The title compound, C18H12N6O6, was prepared from the reaction of 4-(phenyldiazenylaniline (aniline yellow with picrylsulfonic acid. The dihedral angle formed by the two benzene rings of the diphenyldiazenyl ring system is 6.55 (13° and that formed by the rings of the picrate–aniline ring system is 48.76 (12°. The molecule contains an intramolecular aniline–nitro N—H...O hydrogen bond.

  2. Water quality criteria for 2,4,6-trinitrotoluene (TNT): Final report

    Energy Technology Data Exchange (ETDEWEB)

    Ryon, M.G.

    1987-08-01

    Studies of the acute toxicity of TNT to aquatic organisms indicate that LC/sub 50/ values range from 5.2 to 27.0 mg/L for invertebrates in 48-hr static tests, and from 2.0 to 3.7 mg/L for fish in 96-hr flow-through tests. TNT is absorbed by both humans and test animals through the skin, by ingestion, and by inhalation. Following oral absorption, /sup 14/C-TNT is found at highest levels in the GI tract, liver, kidneys, and blood. The liver is the site for metabolic and detoxification activity. The primary effects of occupational exposure to TNT are jaundice with toxic hepatic and/or aplastic anemia that can be fetal. Significant effects on the hematological system occurred at mean exposure levels of 0.2 to 7.5 mg/m/sup 3/. Evaluations of oral TNT toxicity were reported for 90-day exposures of dogs, mice, and rats. The effects for all three species were similar and included depressed weight gain, mild to moderate anemia, enlarged livers and spleens, some testicular atrophy, and hemosiderosis of the spleen. Carcinogenicity data were limited to a 2-yr study of rats which indicated hyperplasia and carcinoma of the urinary bladder in females at the highest dose (50 mg/kg/day). Standards for TNT occupational exposures have been recommended by OSHA (TLV of 1.5 mg/m/sup 3/), US Army (0.5 mg/m/sup 3/), and ACGIH (TLV of 0.5 mg/m/sup 3/ and STEL of 0.3 mg/m/sup 3/). Drinking water limits of 0.03 to 0.05 mg/L were recommended by the US Army and Navy. Available data for calculating water quality criteria were insufficient to meet all the USEPA guideline requirements. However, a reasonable estimate of the criterion maximum concentration is 557 ..mu..g/L. 54 refs., 3 figs., 31 tabs.

  3. 26 CFR 1.246-5 - Reduction of holding periods in certain situations.

    Science.gov (United States)

    2010-04-01

    ... contract or the stock index while holding the stock of an investment company whose principal holdings mimic... stock for purposes of the dividends received deduction is appropriately reduced for any period in which... substantially similar or related to stock when— (i) The fair market values of the stock and the property...

  4. A meta-analysis of 120,246 individuals identifies 18 new loci for fibrinogen concentration

    NARCIS (Netherlands)

    de Vries, P.S.; Chasman, D.I.; Sabater-Lleal, M.; Chen, M.H.; Huffman, J.E.; Steri, M.; Tang, W.; Teumer, A.; Marioni, R.E.; Grossmann, V.; Hottenga, J.J.; Willemsen, G.; de Geus, E.J.C.; Boomsma, D.I.; Cucca, F.; Tracy, R.; Watkins, H.; Reiner, A.P.; Folsom, A.R.; Ridker, P.M.; O'Donnell, C.J.; Smith, N.L.; Strachan, D.P.; Dehghan, A.

    2016-01-01

    Genome-wide association studies have previously identified 23 genetic loci associated with circulating fibrinogen concentration. These studies used HapMap imputation and did not examine the X-chromosome. 1000 Genomes imputation provides better coverage of uncommon variants, and includes indels.We

  5. (E,E-1,2-Bis(2,4,6-trimethoxybenzylidenehydrazine

    Directory of Open Access Journals (Sweden)

    Hoong-Kun Fun

    2010-09-01

    Full Text Available The title molecule, C20H24N2O6, lies on an inversion centre. All non-H atoms are essentially coplanar, with an r.m.s. deviation of 0.0415 (1 Å and a maximum deviation of 0.1476 (1 Å for the methoxy C atom at the 4-position of the benzene ring. The crystal structure is stabilized by weak C—H...N and C—H...π interactions.

  6. 2,4,6-Trimethyl-3,5-bis[(phenylcarbonothioylsulfanylmethyl]benzyl benzenecarbodithioate

    Directory of Open Access Journals (Sweden)

    M. Kannan

    2010-06-01

    Full Text Available In the title compound C33H30S6, the three pendant methylene benzodithioate groups lie to one side of the central benzene ring in a cis-cis-cis `tripod' arrangement. The dihedral angles between the central benzene ring and the three pendant rings are 72.54 (4, 89.68 (4 and 86.74 (4°. In the crystal structure, one of the benzene rings is disordered over two orientations in a 0.559 (13:0.441 (13 ratio.

  7. 32 CFR Appendix B to Part 246 - Business and Financial Operations

    Science.gov (United States)

    2010-07-01

    ... assessment of average commercial newspaper sales prices throughout the United States. The availability of the... advertising, to include price and brand names of products or services and related coupons that are available...

  8. Power and Identity: Tribalism in World Politics. Headline Series No. 246.

    Science.gov (United States)

    Isaacs, Harold R.

    This booklet examines modern foreign policy based on deep-seated complexities of historical, cultural, national, religious, and racial practices and beliefs. In examining current policy issues, 'the web of the past' creates the deeply subjective sources of political behavior shaping events and conflicts. Chapters include: (1) "The Hard and the…

  9. Mineralization of 2,4,6-Trinitrotoleune (TNT) in Coastal Waters and Sediments

    Science.gov (United States)

    2006-08-21

    KD (2004). Kinetics and mechanism of TNT degradation in TiO2 photocatalysis . Chemosphere 57(4):309-17. Sørensen, SJ, Bailey, M, Hansen, LH...catalysts, such as TiO2 (Schmelling et al. 1996, Son et al. 2004), or with additions of peroxide and ozone (Rodgers and Bunce 2001), borohydride (Larson et...Kuritz and Wolk 1995, Thies et al. 1996, Kuritz et al. 1997, Kirso and Irha 1998). Under N limited conditions typical of marine systems, a mixed

  10. Soil Sorption and Plant Uptake of 2,4,6-Trinitrotoluene

    Science.gov (United States)

    1988-09-01

    University in partial fulfillment of the requirements for the degree of Doctor of Philosophy’in the Department of Marine Sciences. in August 1988. The study...yeasts, actinomycetes , and gram positive bacteria grew when TNT concentrations did not exceed 20 mg/L, Many gram negative bacteria grew well in TOT

  11. Anion Exchange Resins for the Detection of 2,4,6-Trinitrotoluene in Water.

    Science.gov (United States)

    1982-12-01

    Technical Library) 1 Air Force Rocket Propulsion Laboratory, Edwards Air Force Base (Technical Library) 1 Air Force Wright Aeronautical Laboratories, Wright... Tecnica Libray) 1711"ho Corporaio, Wasatc Division Srighamf City, UT, Via AFPRO 1I United Teooublogie Corporaion, Choilald System Divsin, Suannyvale, CA

  12. Screening for biosurfactant production by 2,4,6-trinitrotoluene-transforming bacteria.

    Science.gov (United States)

    Avila-Arias, H; Avellaneda, H; Garzón, V; Rodríguez, G; Arbeli, Z; Garcia-Bonilla, E; Villegas-Plazas, M; Roldan, F

    2017-08-01

    To isolate and identify TNT-transforming cultures from explosive-contaminated soils with the ability to produce biosurfactants. Bacteria (pure and mixed cultures) were selected based on their ability to transform TNT in minimum media with TNT as the sole nitrogen source and an additional carbon source. TNT-transforming bacteria were identified by 16S rRNA gene sequencing. TNT transformation rates were significantly lower when no additional carbon or nitrogen sources were added. Surfactant production was enabled by the presence of TNT. Fourteen cultures were able to transform the explosive (>50%); of these, five showed a high transformation capacity (>90%), and six produced surfactants. All explosive-transforming cultures contained Proteobacteria of the genera Achromobacter, Stenotrophomonas, Pseudomonas, Sphingobium, Raoultella, Rhizobium and Methylopila. These cultures transformed TNT when an additional carbon source was added. Remarkably, Achromobacter spanius S17 and Pseudomonas veronii S94 have high TNT transformation rates and are surfactant producers. TNT is a highly toxic, mutagenic and carcinogenic nitroaromatic explosive; therefore, bioremediation to eliminate or mitigate its presence in the environment is essential. TNT-transforming cultures that produce surfactants are a promising method for remediation. To the best of our knowledge, this is the first report that links surfactant production and TNT transformation by bacteria. © 2017 The Society for Applied Microbiology.

  13. 246 THE STRATEGY OF SQ3R TO ENHANCE STUDENTS’ READING SKILL

    Directory of Open Access Journals (Sweden)

    Maria Johana Ari Widayanti, S.S., M.Si.

    2017-04-01

    Full Text Available Reading is a hobby. By reading, we can increase our knowledge. Unfortunately, many students dislike reading especially English version. They think that reading English version is difficult because there are a lot of difficult vocabularies. To enhance reading skill among students, the researcher applied SQ3R strategy in her Elementary Reading Comprehension class. The aims were: (1. To give an explanation how the SQ3R application could improve students‘ reading skill, (2 to know how far SQ3R application could change students‘ behavior in reading. The subject was the students of English Department semester 2. The sample was one class with the total number were 23 students (8 men and 15 women. The collecting data were written through the result of analysis and summary of students which done three (3 times. In Cycle 1: only 5 students (23% who could understand, analyze, and write a summary by applying SQ3R. 18 students (67% could not understand how to apply SQ3R. In cycle 2, 15 people could understand, analyze, and write a summary by applying KWL chart. 35% (8 students could not understand how to KWL chart. In cycle 3, 20 students (90% could apply SQ3R and KWL chart by understanding, analyzing, and writing a summary. 3 students (10% could not apply SQ3R and KWL chart. The observation result, the interview, and the questionnaire presented the motivation of students in analyzing and writing a summary of English version was high. It could be said there was a change in writing a summary by applying SQ3R among students.

  14. Long-term follow-up of 246 adults with juvenile idiopathic arthritis: education and employment.

    Science.gov (United States)

    Packham, J C; Hall, M A

    2002-12-01

    To examine the levels of education and employment in adults with juvenile idiopathic arthritis (JIA) compared with their siblings and national figures. Two hundred and forty-six adults identified with long-standing JIA had an average disease duration of 28.3 yr. Educational achievements and employment status were recorded and comparative data obtained from siblings and the National Office for Statistics, UK. The effects, incidence and nature of discrimination in the workplace were also explored. Across all levels of education the study group achieved significantly better results than both the national average and their siblings. In contrast, the rate of unemployment in the patient group was more than twice that in the national population. The percentage of patients who had encountered discrimination in the workplace was 25.1.

  15. Graduate Education and Professional Practice in International Peace and Conflict. Special Report 246

    Science.gov (United States)

    Carstarphen, Nike; Zelizer, Craig; Harris, Robert; Smith, David J.

    2010-01-01

    Over the past two decades, the number of academic institutions providing education and training in international peace and conflict resolution in the United States has grown. Much of this development has been at the graduate level. In the fall of 2005, to assess the current state of the field more accurately, the United States Institute of Peace…

  16. Soft rotator model and {sup 246}Cm low-lying level scheme

    Energy Technology Data Exchange (ETDEWEB)

    Porodzinskij, Yu.V.; Sukhovitskij, E.Sh. [Radiation Physics and Chemistry Problems Inst., Minsk-Sosny (Belarus)

    1997-03-01

    Non-axial soft rotator nuclear model is suggested as self-consistent approach for interpretation of level schemes, {gamma}-transition probabilities and neutron interaction with even-even nuclei. (author)

  17. A meta-analysis of 120 246 individuals identifies 18 new loci for fibrinogen concentration

    NARCIS (Netherlands)

    P.S. de Vries (Paul); D.I. Chasman (Daniel); M. Sabater-Lleal (Maria); M.-H. Chen (Ming-Huei); J.E. Huffman (Jennifer E.); M. Steri (Maristella); W. Tang (Weihong); A. Teumer (Alexander); R.E. Marioni (Riccardo); V. Grossmann (Vera); J.J. Hottenga (Jouke Jan); S. Trompet (Stella); M. Müller-Nurasyid (Martina); J.H. Zhao (Jing Hua); J. Brody (Jennifer); M.E. Kleber (Marcus); X. Guo (Xiuqing); J.J. Wang (Jie Jin); P. Auer (Paul); J. Attia (John); L.R. Yanek (Lisa); T.S. Ahluwalia (Tarunveer Singh); J. Lahti (Jari); C. Venturini (Cristina); T. Tanaka (Toshiko); L.F. Bielak (Lawrence F.); P.K. Joshi (Peter); A. Rocanin-Arjo (Ares); I. Kolcic (Ivana); P. Navarro (Pau); L.M. Rose (Lynda); C. Oldmeadow (Christopher); H. Riess (Helene); J. Mazur (Johanna); S. Basu (Saonli); A. Goel (Anuj); Q. Yang (Qiong); M. Ghanbari (Mohsen); Gonnekewillemsen; A. Rumley (Ann); E. Fiorillo (Edoardo); A.J. de Craen (Anton); A. Grotevendt (Anne); R.A. Scott (Robert); K.D. Taylor (Kent D.); G.E. Delgado (Graciela E.); J. Yao (Jie); A. Kifley (Annette); C. Kooperberg (Charles); Q. Qayyum (Rehan); L. Lopez (Lornam); T.L. Berentzen (Tina L.); K. Räikkönen (Katri); Massimomangino; S. Bandinelli (Stefania); P.A. Peyser (Patricia A.); S. Wild (Sarah); D.-A. Tregouet (David-Alexandre); A.F. Wright (Alan); J. Marten (Jonathan); T. Zemunik (Tatijana); A.C. Morrison (Alanna); B. Sennblad (Bengt); G.H. Tofler (Geoffrey); M.P.M. de Maat (Moniek); E.J.C. de Geus (Eco); G.D. Lowe (Gordon D.); M. Zoledziewska (Magdalena); N. Sattar (Naveed); H. Binder (Harald); U. Völker (Uwe); M. Waldenberger (Melanie); K.-T. Khaw (Kay-Tee); B. McKnight (Barbara); J. Huang (Jian); N.S. Jenny (Nancy); E.G. Holliday (Elizabeth); L. Qi (Lihong); M.G. Mcevoy (Mark G.); D.M. Becker (Diane); J.M. Starr (John); A.-P. Sarin; P.G. Hysi (Pirro); D.G. Hernandez (Dena); M.A. Jhun (Min A.); H. Campbell (Harry); A. Hamsten (Anders); F. Sarin (Fernando); W.L. McArdle (Wendy); P. Eline Slagboom; T. Zeller (Tanja); W. Koenig (Wolfgang); B. Psaty (Brucem); T. Haritunians (Talin); J. Liu (Jingmin); A. Palotie (Aarno); A.G. Uitterlinden (André); D.J. Stott (David J.); A. Hofman (Albert); O.H. Franco (Oscar); O. Polasek (Ozren); I. Rudan (Igor); P.-E. Morange (P.); J.F. Wilson (James F.); S.L. Kardia (Sharon L.r); L. Ferrucci (Luigi); T.D. Spector (Timothy); J.G. Eriksson (Johan G.); T. Hansen (Torben); I.J. Deary (Ian); L.C. Becker (Lewis); R.J. Scott (Rodney); P. Mitchell (Paul); W. März (Winfried); N.J. Wareham (Nick J.); A. Peters (Annette); A. Greinacher (Andreas); P.S. Wild (Philipp S.); J.W. Jukema (Jan Wouter); D.I. Boomsma (Dorret I.); C. Hayward (Caroline); F. Cucca (Francesco); R.P. Tracy (Russell); H. Watkins (Hugh); A.P. Reiner (Alex P.); A.R. Folsom (Aaron); P.M. Ridker (Paul); C.J. O'Donnell (Christopher J.); N.L. Smith (Nicholas L.); D.P. Strachan (David P.); A. Dehghan (Abbas)

    2016-01-01

    textabstractGenome-wide association studies have previously identified 23 genetic loci associated with circulating fibrinogen concentration. These studies used HapMap imputation and did not examine the X-chromosome. 1000 Genomes imputation provides better coverage of uncommon variants, and includes

  18. A meta-analysis of 120 246 individuals identifies 18 new loci for fibrinogen concentration

    DEFF Research Database (Denmark)

    de Vries, Paul S; Chasman, Daniel I; Sabater-Lleal, Maria

    2016-01-01

    Genome-wide association studies have previously identified 23 genetic loci associated with circulating fibrinogen concentration. These studies used HapMap imputation and did not examine the X chromosome. 1000 Genomes imputation provides better coverage of uncommon variants, and includes indels. W...

  19. 3-Nitrophenol–1,3,5-triazine-2,4,6-triamine (2/1

    Directory of Open Access Journals (Sweden)

    V. Sangeetha

    2013-06-01

    Full Text Available The asymmetric unit of the title compound, C3H6N6·2C6H5NO3, contains one melamine and two 3-nitrophenol molecules. The mean planes of the 3-nitrophenol molecules are almost orthogonal to the plane of melamine, making dihedral angles of 82.77 (4 and 88.36 (5°. In the crystal, molecules are linked via O—H...N, N—H...N and N—H...O hydrogen bonds, forming a three-dimensional network. The crystal also features weak C—H...π and π–π interactions [centroid–centroid distance = 3.9823 (9 Å].

  20. Geno- and phenotypic characterization of human cytomegalovirus mutants selected in vitro after letermovir (AIC246) exposure.

    Science.gov (United States)

    Goldner, Thomas; Hempel, Christine; Ruebsamen-Schaeff, Helga; Zimmermann, Holger; Lischka, Peter

    2014-01-01

    Letermovir is a novel antiviral compound currently in clinical development for the prevention of human cytomegalovirus (HCMV) infections. In contrast to all currently approved anti-HCMV drugs that target the viral DNA polymerase, letermovir acts via a distinct mode of action involving the viral terminase subunit pUL56. To extend our understanding of potential letermovir resistance mechanisms, we used marker transfer to characterize mutations identified in letermovir-resistant HCMV variants that were selected in cell culture.

  1. Geno- and Phenotypic Characterization of Human Cytomegalovirus Mutants Selected In Vitro after Letermovir (AIC246) Exposure

    OpenAIRE

    Goldner, Thomas; Hempel, Christine; Ruebsamen-Schaeff, Helga; Zimmermann, Holger; Lischka, Peter

    2014-01-01

    Letermovir is a novel antiviral compound currently in clinical development for the prevention of human cytomegalovirus (HCMV) infections. In contrast to all currently approved anti-HCMV drugs that target the viral DNA polymerase, letermovir acts via a distinct mode of action involving the viral terminase subunit pUL56. To extend our understanding of potential letermovir resistance mechanisms, we used marker transfer to characterize mutations identified in letermovir-resistant HCMV variants th...

  2. 32 CFR Appendix C to Part 246 - Personnel Policies and Procedures

    Science.gov (United States)

    2010-07-01

    ... competitive basis by the S&S commander/publisher and the Stars and Stripes editor. The S&S shall request.../publisher shall ensure that the S&S employees are made aware of those provisions before being hired and that.... The S&S military officer positions considered for nomination shall be the S&S commander/publisher and...

  3. 48 CFR 552.246-70 - Source Inspection by Quality Approved Manufacturer.

    Science.gov (United States)

    2010-10-01

    ..., at the Government's option, be replaced, repaired, or otherwise corrected by the Contractor at no... expense, supplies rejected or required to be replaced, repaired, or corrected. When the nature of the..., charges will be at the rate of $ per man-hour or fraction thereof if the inspection is at a GSA...

  4. Page 1 246 H S Mukunda, U Shrinivasa and S Dasappa Swosthee ...

    Indian Academy of Sciences (India)

    It weighs 1.5 kg without insulation, and 30 kg with insulation and an external cover. The fuel is loaded through a 0.03 m × 0.03 m opening. The average combustion rate is. 42 x 107° kg/s (0.15 kg/h) and the amount of fuel that needs to be charged at a time is two or three pieces of wood of 0.01 to 0:012 m diameter on an ...

  5. Symposium on Energy Storage Materials Energy and Fuel Division, 246th ACS National Meeting

    Science.gov (United States)

    2015-04-17

    National Laboratory, Upton, NY 11793, United States Metal  air   batteries  offer the opportunity for significant energy density improvements relative to...current  battery  technologies.  Air cathodes typically require a catalyst, conductive additives, binder, and current collector to function effectively...methodologies which may lead to low cost, high cycle life grid scale  batteries  based on  Zinc  and MnO2. Wednesday, September 11, 2013 03:15 PM Advances in

  6. Oral exposure of adult zebrafish (Danio rerio) to 2,4,6-tribromophenol affects reproduction

    DEFF Research Database (Denmark)

    Halden, Anna Norman; Nyholm, Jenny Rattfelt; Andersson, Patrik L

    2010-01-01

    and the mean concentration of TBA was 25-30% of the TBP concentration. TBP and TBA were detected in offspring with wet weight-based egg/fish concentration ratios well below one. Exposure to TBP significantly reduced the fertilization success and disturbed the gonad morphology, i.e. fewer spermatid cysts...... was not significantly affected, but yolk-sac oedema tended to increase in frequency in exposed groups with time. Our results show that dietary exposure to TBP, at concentrations found in marine organisms that are part of the natural diet of wild fish, can interfere with reproduction in zebrafish. We also observed low...

  7. "Baltos lankos": Texte und Interpretationen - Almanach der Musiksemiotik, Vilnius (Baltos lankos), 1997, 246 S. (litauisch) [Rezension

    OpenAIRE

    Daunoravičienė, Gražina

    2017-01-01

    Die neunte Nummer des Almanachs "Baltos lankos" ist der Musiksemiotik gewidmet. Der Almanach "Baltos lankos" wurde von dem der Gründer der französischen Semiologieschule, dem Litauer Algirdas Julius Greimas, ins Leben gerufen.

  8. SU-E-T-246: Detector Selection for Small Field Measurements, a Comparative Study

    Energy Technology Data Exchange (ETDEWEB)

    Sigler, M; Pavord, D; Irwin, J; Kriminski, S [Vassar Brothers Hospital, Poughkeepsie, NY (United States)

    2015-06-15

    Purpose: To compare commercially available detectors for small field dosimetry. Methods: PTW (Freiburg, Germany) diode E, PTW microDiamond, and SunNuclear (Melbourne, FL) Edge detector were used to measure output factors, PDD, and profiles on a Varian iX linear accelerator (Varian Medical Systems, Palo Alto, CA) using 6MV and 18MV photon beams. The water tank was set to 100cm SSD. Centering profiles at 5cm and 20cm depth confirmed an offset <0.1mm. High resolution PDD (0.1mm) aligned the collecting volume at water surface. For setup and linearity verification, PDD and profiles were matched to annual measurements, which were performed with an A1SL ion chamber.Scans were taken for 6X and 18X, for 10cmx10cm, 10cmx2cm, 10cmx1cm, and 10cmx0.5cm fields. Profiles were measured at Dmax (6X=1.5cm, 18X=3.5cm), 5cm, 10cm, and 20cm depths. All fields used 10cmx10cm jaws with the MLC defining the field in the X-direction. PDDs used 2mm step size and 0.2s discrete collecting time. Profiles used 1mm step size and a 0.4s discrete collecting time. Results: The PTW diode E and Edge detector exhibit centering stability, but all detectors require vertical shifts from Vendor defined vertical alignment. Output factor measurements reveal good agreement between detectors. The Edge detector demonstrates the sharpest penumbra and the closest consistent match to ion chamber measurements in the out of field regions for 6MV (3.2%). Each detector provides comparable curve quality for PDDs, with a maximum difference across detectors giving a standard deviation of 0.6% at 30cm depth, 18X, and 10cmx0.5cm. Profiles match closely across all detectors, depths, energies, and field sizes. The microDiamond detector produces the largest penumbra width, largest deviation from ion chamber dose in the tail region for 6MV, and exhibits centering instability. Conclusion: Based on our findings, the Edge detector was chosen for stereotactic measurements. The PTW diode E is an acceptable alternative.

  9. 27 CFR 24.246 - Materials authorized for the treatment of wine and juice.

    Science.gov (United States)

    2010-04-01

    ... dioleate): To control foaming, fermentation adjunct Defoaming agents which are 100% active may be used in... opinion of 8/18/83 or from Rhizopus oryzae per 21 CFR 173.130 or from Bacillus licheniformis per 21 CFR... from Rhizopus oryzae per 21 CFR 173.130 or from Rhizopus niveus per 21 CFR 173.110. Carbohydrase...

  10. Numerical Solutions of the Coupled Klein-Gordon-Schrand#246;dinger Equations by Differential Quadrature Methods

    Directory of Open Access Journals (Sweden)

    Thoudam Roshan

    2016-10-01

    Full Text Available Numerical solutions of the coupled Klein-Gordon-Schrödinger equations is obtained by using differential quadrature methods based on polynomials and quintic B-spline functions for space discretization and Runge-Kutta fourth order for time discretization. Stability of the schemes are studied using matrix stability analysis. The accuracy and efficiency of the methods are shown by conducting some numerical experiments on test problems. The motion of single soliton and interaction of two solitons are simulated by the proposed methods.

  11. 40 CFR 246.202-4 - Recommended procedures: Methods of separation and storage.

    Science.gov (United States)

    2010-07-01

    ... placed in balers and compacted into bales. These bales may be stored inside or outside of the facility. The bales should be protected from fire, inclement weather, theft, and vandalism. (b) Stationary...

  12. Phytoremediation of soil contaminated with cadmium and/or 2,4,6-trinitrotoluene.

    Science.gov (United States)

    Baek, Kyung-Hwa; Chang, Joo-Yun; Chang, Yoon-Young; Bae, Bum-Han; Kim, Jaisoo; Lee, In-Sook

    2006-05-01

    Phytotoxicity, microbial activity, plant uptake and microbial degradation were examined using Rumex crispus in TNT and/or cadmium contaminated columns (TNT: 100 mg/kg of soil and Cd: 10 mg/kg of soil). The growth of plants was significantly inhibited by TNT, but not by Cd. The microbial activity was highly increased by plant root growth, decreased by Cd, and slightly reduced by TNT. The plant uptake of Cd was relatively well in Cd-contaminated column, but lowered by TNT in TNT+Cd-contaminated column. The microbial degradation of TNT occurred much faster in planted columns than in unplanted columns with minor effect of Cd (less 2-ADNT was produced). Therefore, it may be effective to treat TNT first and then Cd using phytoremediation in the TNT plus Cd contaminated sites.

  13. 1,4-Diazoniabicyclo[2.2.2]octane bis(2,4,6-trinitrophenolate

    Directory of Open Access Journals (Sweden)

    Weiwei SiMa

    2010-07-01

    Full Text Available In the title compound, C6H14N22+·2C6H2N3O7−, the cation possesses crystallographically imposed twofold rotation symmetry. In the crystal structure, the cation and anions are linked into a trimeric aggregate by intermolecular N—H...O hydrogen bonds. The trimeric units are further connected by π–π interactions [centroid–centroid distances = 3.507 (2–3.660 (3 Å], forming layers parallel to the bc plane.

  14. (RS-(2-Bromo-4-fluoroanilino[2-(4,6-dimethoxypyrimidin-2-yloxyphenyl]acetonitrile

    Directory of Open Access Journals (Sweden)

    Yuan-xiang Li

    2009-09-01

    Full Text Available In the title compound, C20H16BrFN4O3, the pyrimidine and 2-bromo-4-fluorophenyl rings are twisted away from the central benzene ring, making dihedral angles of 77.7 (1 and 85.5 (1, respectively. A pair of C—H...F interactions is involved in an R22(8 motif, linking the molecules into dimers. These ring motifs are situated about the crystallographic centres of symmetry. C—H...O hydrogen bonds link the dimers into chains running parallel to [1overline{1}1]. Additionally, a weak C—F...π-electron ring interaction was observed in the crystal packing [F...Cg = 3.459 (4 Å; Cg is the centroid of the pyrimidine ring]. There is also an intramolecular N—H...Br interaction in the structure.

  15. 19 CFR 10.246 - Maintenance of records and submission of Certificate by importer.

    Science.gov (United States)

    2010-04-01

    ... reputation. (c) Correction and nonacceptance of Certificate. If the port director determines that a... an article whose value does not exceed US$2,500, provided that, unless waived by the port director...

  16. Yeast Interacting Proteins Database: YBR246W, YDR520C [Yeast Interacting Proteins Database

    Lifescience Database Archive (English)

    Full Text Available a screen for mutants with increased levels of rDNA transcription; null mutants display a weak carboxypeptid...h increased levels of rDNA transcription; null mutants display a weak carboxypeptidase Y missorting/secretio

  17. Protective effects of Aegle marmelos fruit pulp on 2,4,6-trinitrobenzene sulfonic acid-induced experimental colitis

    OpenAIRE

    Rohit R Ghatule; Gautam, Manish K.; Shalini Goel; Amit Singh; Joshi, Vinod K.; Goel, Raj K.

    2014-01-01

    Background: Aegle marmelos (AM) fruit has been advocated in indigenous system of medicine for the treatment of various gastrointestinal disorders, fever, asthma, inflammations, febrile delirium, acute bronchitis, snakebite, epilepsy, leprosy, myalgia, smallpox, leucoderma, mental illnesses, sores, swelling, thirst, thyroid disorders, tumours and upper respiratory tract infections. Objective: The objective of this study was to study the curative effect of 50% ethanol extract of dried fruit pul...

  18. Corrigendum to ;Applications of biotite inclusion composition to zircon provenance determination; [Earth Planet. Sci. Lett. 473 (2017) 237-246

    Science.gov (United States)

    Bell, Elizabeth A.; Boehnke, Patrick; Harrison, T. Mark

    2017-10-01

    We are grateful for support from the Collaborative for Research in Origins (CRiO) at the University of Colorado Boulder, which is funded by the John Templeton Foundation-FfAME Origins program. The opinions expressed in this publication are those of the authors, and do not necessarily reflect the views of the John Templeton Foundation.

  19. (2E,4E,6E-3-Methyl-7-(pyren-1-ylocta-2,4,6-trienoic acid

    Directory of Open Access Journals (Sweden)

    Stavros E. Bariamis

    2009-10-01

    Full Text Available The title compound, C25H20O2, was synthesized by a Wittig reaction between triphenyl[1-(pyren-1-ylethyl]phosphonium bromide and ethyl (2E,4E-3-methyl-6-oxohexa-2,4-dienoate, in the presence of n-butyl lithium, followed by saponification. It was obtained pure in the all-trans configuration following crystallization from ethyl acetate. The asymmetric unit contains two independent molecules (A and B, which are arranged almost parallel to each other within the crystal structure. The triene chain is not coplanar with the pyrene ring system, forming dihedral angles of 52.8 (1 and 42.2 (1° for molecules A and B, respectively. Intermolecular hydrogen bonds between the carboxyl groups of the molecules link them into centrosymmetric pairs, AA and BB, each with the R22(8 graph-set motif.

  20. 48 CFR 52.246-19 - Warranty of Systems and Equipment under Performance Specifications or Design Criteria.

    Science.gov (United States)

    2010-10-01

    ... notice, specifying any failure or refusal of the Contractor to— (A) Present a detailed recommendation for... Contractor in which the Contractor must remedy the failure or refusal specified in the notice. (6) If the... reasonable expenses of care and disposition, as well as for excess costs incurred or to be incurred; (ii...

  1. The Role of Oxophytodienoate Reductases in the Detoxification of the Explosive 2,4,6-Trinitrotoluene by Arabidopsis

    Science.gov (United States)

    2009-09-01

    detoxification in plants. To further elucidate this, we used microarray analysis to identify Arabidopsis ( Arabidopsis thaliana) genes up-regulated by exposure... Arabidopsis plants overexpressing OPR1 removed TNT more quickly from liquid culture, produced increased levels of transformation products, and...Mezzari et al., 2005) have found that members of the small gene family of oxophyto- dienoate reductases (OPRs) in Arabidopsis (Arabidop- sis thaliana

  2. APR-246/PRIMA-1(MET) rescues epidermal differentiation in skin keratinocytes derived from EEC syndrome patients with p63 mutations

    NARCIS (Netherlands)

    Shen, J.; Bogaard, E.H.J. van den; Kouwenhoven, E.N.; Bykov, V.J.; Rinne, T.K.; Zhang, Q.; Tjabringa, G.S.; Gilissen, C.F.H.A.; Heeringen, S.J. van; Schalkwijk, J.; Bokhoven, J.H.L.M. van; Wiman, K.G.; Zhou, H.

    2013-01-01

    p53 and p63 share extensive sequence and structure homology. p53 is frequently mutated in cancer, whereas mutations in p63 cause developmental disorders manifested in ectodermal dysplasia, limb defects, and orofacial clefting. We have established primary adult skin keratinocytes from ectrodactyly,

  3. Design, synthesis and biological evaluation of antimalarial activity of new derivatives of 2,4,6-s-triazine.

    Science.gov (United States)

    Pathak, Mallika; Ojha, Himanshu; Tiwari, Anjani K; Sharma, Deepti; Saini, Manisha; Kakkar, Rita

    2017-12-19

    Dihydrofolate reductase (DHFR) is an important enzyme for de novo synthesis of nucleotides in Plasmodium falciparum and it is essential for cell proliferation. DHFR is a well known antimalarial target for drugs like cycloguanil and pyrimethamine which target its inhibition for their pharmacological actions. However, the clinical efficacies of these antimalarial drugs have been compromising due to multiple mutations occurring in DHFR that lead to drug resistance. In this background, we have designed 22 s -triazine compounds using the best five parameters based 3D-QSAR model built by using genetic function approximation. In-silico designed compounds were further filtered to 6 compounds based upon their ADME properties, docking studies and predicted minimum inhibitory concentrations (MIC). Out of 6 compounds, 3 compounds were synthesized in good yield over 95% and characterized using IR, 1 HNMR, 13 CNMR and mass spectroscopic techniques. Parasitemia inhibition assay was used to evaluate the antimalarial activity of s -triazine compounds against 3D7 strain of P. falciparum. All the three compounds (7, 13 and 18) showed 30 times higher potency than cycloguanil (standard drug). It was observed that compound 18 was the most active while the compound 13 was the least active. On the closer inspection of physicochemical properties and SAR, it was observed that the presence of electron donating groups, number of hydrogen bond formation, lipophilicity of ligands and coulson charge of nitrogen atom present in the triazine ring enhances the DHFR inhibition significantly. This study will contribute to further endeavours of more potent DHFR inhibitors.

  4. 78 FR 19413 - Listing of Color Additives Exempt From Certification; Reactive Blue 246 and Reactive Blue 247...

    Science.gov (United States)

    2013-04-01

    ....regulations.gov . 1. Bar n, M., K.-H. Hellwich, M. Hess, K. Horie, et al, ``Glossary of Class Names of.... Memorandum from S. Park, Division of Petition Review, Toxicology Review Team, to M.Harry, Division of...

  5. 3D Visualization of Developmental Toxicity of 2,4,6-Trinitrotoluene in Zebrafish Embryogenesis Using Light-Sheet Microscopy

    OpenAIRE

    Juneyong Eum; Jina Kwak; Hee Joung Kim; Seoyoung Ki; Kooyeon Lee; Ahmed A. Raslan; Ok Kyu Park; Md Ashraf Uddin Chowdhury; Song Her; Yun Kee; Seung-Hae Kwon; Byung Joon Hwang

    2016-01-01

    Environmental contamination by trinitrotoluene is of global concern due to its widespread use in military ordnance and commercial explosives. Despite known long-term persistence in groundwater and soil, the toxicological profile of trinitrotoluene and other explosive wastes have not been systematically measured using in vivo biological assays. Zebrafish embryos are ideal model vertebrates for high-throughput toxicity screening and live in vivo imaging due to their small size and transparency ...

  6. Fate of N,N-Bis-(2,4,6-Trichlorophenyl)-Urea in a Freshwater Sediment

    Science.gov (United States)

    1990-05-01

    sediments of Canal Creek, an estuarine system within the U.S. Army Aberdeen Proving Grounds, Maryland. Initial gas-chromatographic studies by Hydroponics ... advantages of this technique include chromatographic separation of interfering compounds and the short temporal lag In the generation of the saturated...solution and the analysis of analyte ( May and Wasik.1978; May et al. 1978 ). The latter advantage may be Important if the analyte is not stable in

  7. Species Differences in the Disposition and Metabolism of 2,4,6-Trinitrotoluene as a Function of Route of Administration.

    Science.gov (United States)

    1981-06-01

    I I ~ i i i i i i i i i i i i i i i i i i0ii i i i i*ii i i 000 0 21700 4)0 0 0 41 410 0 0N $W w 0 .0~A 414. 1JJ C0 0~0 T 0- 0 0 ~ - 4 rŘ U cd...co CN fl~C6 t tO@M@---------- uM w 0 0LS ~ 0 0 N N ~ i* ~ 0 ~. 0 0 1.2 8 9 0 0P z 1 4 0 00 WI C:44 41- 0 td WW-40 -4 u oW 0 0 V a-1 C’.4 r CU 0 0 %D

  8. Evaluation of Orally Delivered ST-246 as Postexposure Prophylactic and Antiviral Therapeutic in an Aerosolized Rabbitpox Rabbit Model

    Science.gov (United States)

    2008-01-01

    Medical Research Institute of Infectious Diseases (USAMRIID), Fort Detrick, MD, United States c (USAM ariol and t tivira pox in y ora l aer ent w r of ra ps...civilian populations. l therapies approved by the U.S. Food and Drug Administration (FDA) to fection. In this study, we showed that administration of the...threats to both military and civilian populations. Currently, there are no antiviral therapies approved by the U.S. Food and Drug Administration (FDA) to

  9. Effects of Soil pH and Treatment Level on Persistence and Plant Uptake of 2,4,6-Trinitrotoluene

    Science.gov (United States)

    1988-12-01

    oditlint are Obtblote. SC% I NO HSPG CiSA SUn lanstf4 •d Secumtor C•, SUCA •?IO Of TW, PAss 3a. NAME OF FUNDING/SPONSORING ORGANIZATION (Continued). JS Army...were mixed with 20 ml of reverse osmosis (RO) water until all dry particles were thoroughly wet. The resulting suspension was stirred with a magnetic...30 to 50 percent of field capacity, i.e., field capacity equals 0.00 MPa) with deionized water obtained from a Continental Model 3230 Reverse Osmosis

  10. Bis(2,4,6-triamino-1,3,5-triazin-1-ium 2-[bis(carboxylatomethylazaniumyl]acetate trihydrate

    Directory of Open Access Journals (Sweden)

    Kreshnik Hoxha

    2013-11-01

    Full Text Available The title compound, 2C3H7N6+·C6H7NO62−·3H2O, was obtained by mixing melamine and nitrilotriacetic acid in aqueous solution. There is proton transfer from the nitrilotriacteic acid to melamine to produce two melaminium cations and an internal proton transfer to generate the [HN(CH2COO]2− zwitterion. The melaminium cations are arranged in hydrogen-bonded tapes formed by N—H...N interactions. These tapes extend parallel to the [010] direction and are stacked parallel to the a axis at a mean separation of 3.3559 (11 Å. Between these tapes lie the anions and lattice water molecules. Further O—H...O and N—H...O hydrogen bonds exist between the water molecules, the anions, and the melaminium cations, generating a three-dimensional array. The crystal examined was found to be twinned by a twofold rotation about the direct lattice direction [100]. The two twin components were present in the ratio 0.5918:0.4082 (14.

  11. Use of Propolis Hydroalcoholic Extract to Treat Colitis Experimentally Induced in Rats by 2,4,6-Trinitrobenzenesulfonic Acid

    Directory of Open Access Journals (Sweden)

    Cely Cristina Martins Gonçalves

    2013-01-01

    Full Text Available This study focused on the therapeutic effect of a propolis SLNC 106PI extract on experimental colitis. Wistar adult rats received 0.8 mL rectal dose of one of the following solutions: saline (group S, 20 mg TNBS in 50% ethanol (group TNBS, 20 mg TNBS in 50% ethanol and propolis extract in saline (group TNBS-P, propolis extract in saline (group SP, and 20 mg TNBS in 50% ethanol and 50 mg/kg mesalazine (group TNBS-M. The animals were euthanized 7 or 14 days after the colitis induction. Samples of the distal colon were harvested for the analysis of myeloperoxidase (MPO enzyme activity and for morphometric analysis in paraffin-embedded histological sections with hematoxylin-eosin or histochemical staining. The animals treated with TNBS exhibited the typical clinical signs of colitis. Increased MPO activity confirmed the presence of inflammation. TNBS induced the development of megacolon, ulceration, transmural inflammatory infiltrate, and thickened bowel walls. Treatment with propolis moderately reduced the inflammatory response, decreased the number of cysts and abscesses, inhibited epithelial proliferation, and increased the number of goblet cells. The anti-inflammatory activity of the propolis SLNC 106 extract was confirmed by the reductions in both the inflammatory infiltrate and the number of cysts and abscesses in the colon mucosa.

  12. A DUF-246 family glycosyltransferase-like gene affects male fertility and the biosynthesis of pectic arabinogalactans

    DEFF Research Database (Denmark)

    Stonebloom, Solomon; Ebert, Berit; Xiong, Guangyan

    2016-01-01

    BACKGROUND: Pectins are a group of structurally complex plant cell wall polysaccharides whose biosynthesis and function remain poorly understood. The pectic polysaccharide rhamnogalacturonan-I (RG-I) has two types of arabinogalactan side chains, type-I and type-II arabinogalactans. To date few....... RESULTS: T-DNA insertions in PAGR were identified in Arabidopsis thaliana and were found to segregate at a 1:1 ratio of heterozygotes to wild type. We were unable to isolate homozygous pagr mutants as pagr mutant alleles were not transmitted via pollen. In vitro pollen germination assays revealed reduced...... expansion. Cell wall materials from NbPAGR-silenced plants had reduced galactose content compared to the control. Immunological and linkage analyses support that RG-I has reduced type-I arabinogalactan content and reduced branching of the RG-I backbone in NbPAGR-silenced plants. Arabidopsis lines...

  13. Transformation of 2,4,6-trinitrotoluene (TNT) by actinomycetes isolated from TNT-contaminated and uncontaminated environments

    Energy Technology Data Exchange (ETDEWEB)

    Pasti-Grigsby, M.B.; Lewis, T.A.; Crawford, D.L.; Crawford, R.L. [Univ. of Idaho, Moscow, ID (United States)

    1996-03-01

    Biotransformation of TNT has been reported under both aerobic and anaerobic conditions. Actinomycetes are important decomposers in composts. This study examines the tolerance of acitomycete cultures, isolated from both TNT-contaminated and uncontaminated environments for different concentrations to TNT, determined how selected isolates transform TNT, and examined whether such TNT transformations were constitutive or induced by exposure to TNT. 33 refs., 1 figs., 1 tab.

  14. Mozart and aristocratic women performers in Salzburg : a study of the piano concertos K. 242 and K. 246

    OpenAIRE

    Portowitz, Adena

    2009-01-01

    Among recent approaches to Classic music, one of the most revealing is the investigation of expression via topoi. Pioneered by Leonard Ratner, and developed by leading musicologists specializing in 18th-century music, this system identifies characteristic figures and styles that conveyed specific meanings to 18th-century audiences via processes of association. These implications resulted from intimate contacts with everyday musical activities in worship, entertainment, dance ceremonies, the m...

  15. Synthesis of 2-(4,6-Dimethoxy-1,3,5-triazin-2-yloxyimino Derivatives: Application in Solution Peptide Synthesis

    Directory of Open Access Journals (Sweden)

    Fernando Albericio

    2010-12-01

    Full Text Available A new class of 1,3,5-triazinyloxyimino derivatives were prepared, characterized and tested for reactivity in solution peptide synthesis. The new triazinyloxyimino derivatives failed to activate the carboxyl group during formation of peptide bonds, but gave the corresponding N-triazinyl amino acid derivatives as a major product. The oxyma (ethyl 2-cyano-2-(hydroxyiminoacetate uronium salt was superior to other uronium salts in terms of racemization, while 2-chloro-4,6-dimethoxy-1,3,5-triazine (CDMT, 9 gave the best results.

  16. Justiça Transicional e a ONU 10.5102/uri.v4i1.246

    Directory of Open Access Journals (Sweden)

    Tarciso Dal Maso Jardim

    2007-08-01

    Full Text Available The aim of this article is to emphasize the transitional justice, as well as the historical moments inflicted by violent aggressions to human dignity during the authoritarian and totalitarian regimes in the XX century. Those violation experiences which resulted upon crimes of war speed up the creation of the international courts of justice, the elaboration of new legal patterns, new legal norms, which became very important for the development of the international law. In this way, the United Nations placed a key role in legalizing the international system, punishing the criminals and paying for the damages suffered by the war victims.

  17. Detoxification of the explosive 2,4,6-trinitrotoluene in Arabidopsis: discovery of bifunctional O- and C-glucosyltransferases

    Science.gov (United States)

    2008-08-01

    fragment with a mass m/z 254, [M-H]-120 corre- sponded to a fragmentation 0,2X, in agreement with the fragmentation of the C-glucosides of flavonoids ...Trends Plant Sci. 2, 144–151. Cuyckens, F. and Claeys, M. (2004) Mass spectrometry in the structural analysis of flavonoids . J. Mass Spectrom. 39, 1–15

  18. Solid polymer substrates and coated fibers containing 2,4,6-trinitrobenzene motifs as smart labels for the visual detection of biogenic amine vapors.

    Science.gov (United States)

    Pablos, Jesús L; Vallejos, Saúl; Muñoz, Asunción; Rojo, María J; Serna, Felipe; García, Félix C; García, José M

    2015-06-08

    Attempts to polymerize trinitrobenzene derivatives (TNB) have been fruitless so far. Accordingly, polymers containing TNB have not been exploited in spite of their envisaged potential applications. Here, we describe two ways for preparing polymers with TNB moieties thus overcoming the previously reported polymerization impairments. We also report on the exploitation of the materials, both obtained as tractable transparent films and coated fibers, as smart labels for the visual detection of amine vapors. More precisely, amines in the atmosphere surrounding the sensory materials diffuse into them reacting with the TNB motifs forming highly colored Meisenheimer complexes, giving rise to development of color and to the naked eye sensing phenomenon. This is the case of highly volatile amines, such as trimethylamine, produced in food spoilage, specifically in the deterioration of fish or meat, for which the color development of the smart labels can be used as a visual test for food freshness. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. CCDC 1477675: Experimental Crystal Structure Determination : (1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)-trimethyl-indium

    KAUST Repository

    Wu, Melissa M.

    2017-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  20. 2,4,6-tris[bis(1H-tetrazol-5-yl)amino]-1,3,5-triazine as a nitrogen-rich ...

    Indian Academy of Sciences (India)

    MUDDAMARRI HANUMANTHA RAO

    2 (Scheme 1).14,15 The crude product 2 was obtained as a precipitate, which was isolated by filtration. The compound 2 was characterized using FTIR and NMR spectral data. In the FTIR spectrum, the stretching vibration of dicyanamide ion disappeared, and new peaks related to tetrazole was observed at 795, 1081, 1460, ...

  1. Transformation and fate of 2,4,6-trinitrotoluene (TNT) in anaerobic bioslurry reactors under various aeration schemes: implications for the decontamination of soils.

    Science.gov (United States)

    Newcombe, David A; Crawford, Ronald L

    2007-12-01

    Energetic compounds have been used in a variety of industrial and military applications worldwide leading to widespread environmental contamination. Many of these compounds are toxic and resist degradation by oxidative enzymes resulting in a need for alternative remediation methods. It has been shown that trinitrotoluene (TNT)-contaminated soil subjected to treatment in strictly anaerobic bioreactors results in tight binding of TNT transformation products to soil organic matter. The research presented here examined the fate of TNT and its metabolites in bioreactors under three different aeration regimes. In all treatment regimes, the typical metabolites of aminodinitrotoluenes and diaminonitrotoluenes were observed prior to irreversible binding into the soil fraction of the slurry. Significant transformation of TNT into organic acids or simple diols, as others report in prior work, was not observed in any of the treatments and is an unlikely fate of TNT in anaerobic soil slurries. These results indicate that aeration does not dramatically affect transformation or fate of TNT in reactor systems that receive a rich carbon source but does affect the rate at which metabolites become tightly bound to the soil. The most rapid transformations and lowest redox potentials were observed in reactors in which an aerobic headspace was maintained suggesting that aerobes play a role in establishing conditions that are most conducive to TNT reduction.

  2. 2004/09 Beginning Postsecondary Students Longitudinal Study (BPS:04/09). Full-Scale Methodology Report. NCES 2012-246

    Science.gov (United States)

    Wine, Jennifer; Janson, Natasha; Wheeless, Sara

    2011-01-01

    This report describes and evaluates the methods and procedures used in the 2004/09 Beginning Postsecondary Students Longitudinal Study (BPS:04/09). BPS:04/09 is the second and final follow-up interview for the cohort of first-time beginning postsecondary students identified in the 2004 National Postsecondary Student Aid Study. For the first time…

  3. Pumping characteristics of the St707 non-evaporable getter (Zr 70-V 24.6-Fe 5.4 wt%)

    CERN Document Server

    Benvenuti, Cristoforo

    1996-01-01

    The room temperature pumping speeds of the St707 Non-Evaporable Getter (NEG) have been measured both for individual gases and for gas mixtures as a function of the quantities of gas pumped. The interesting feature of this NEG consists in its moderately low activation temperature. Therefore particular attention has been devoted to defining the optimum temperature and duration of the activation process to obtain the highest possible pumping speed in a given practical situation. It has been found that heating at 400° C for about one hour or at 350° C for one day, results in pumping speeds of about 1000 ls-1m-1 for H2 , 2000 ls-1m-1 for CO and 450 ls-1m-1 for N2, values very close to those obtained after activation at the higher temperature of 740° C. The St707 NEG is therefore particularly suitable for passive activation during bakeout of stainless steel vacuum systems, avoiding the need of electrical insulation and feedthroughs which are mandatory when activation is carried out by resistive heating.

  4. Influence of Biogenically Produced Fe(II) and Humic Acid Analogs on the Fate of 2,4,6-Trinitrotoluene (TNT)

    Science.gov (United States)

    Borch, T.; Gerlach, R.; Cunningham, A. B.; Peyton, B. M.; Apel, W. A.

    2002-12-01

    Pollution of soil and groundwater with explosives, such as TNT, is a well-known environmental problem. Obviously, a precise risk assessment and evaluation of appropriate remediation strategies of TNT require a fundamental understanding of the processes that govern the transformation of TNT in the subsurface. Recently a number of novel Gram positive metal-reducing bacteria were isolated from enrichments of subsurface soils from Cr(VI) contaminated and uncontaminated zones at the US Department of Energy's Hanford site. In contrast to most known metal-reducing bacteria such as Geobacter spp. and Shewanella spp. the isolates were predominantly Gram-positive and 16S rDNA and phospholipid analysis indicated that the isolates predominantly belonged to commonly observed soil bacteria of the genus Cellulomonas. These isolates proved to be capable of Cr(VI), U(VI), dissolved Fe(III), goethite, maghemite, magnetite, hematite, and hydrous ferric oxide (HFO) reduction. Reduced solid phase iron can mediate the degradation of nitroaromatics, halogenated solvents, azo compounds, arsenate, and other important contaminants. Consequently, batch experiments were conducted with Fe(III) minerals (namely, HFO and Magnetite) to investigate the impact of biogenically produced Fe(II) on the fate of TNT. The humic acid analog anthraquinone-2,6-disulfonate (AQDS), can be reduced by Cellulomonas spp. and was included in these studies because of its ability to function as an electron shuttle between the Fe(III) minerals and the bacterial cell during microbial iron reduction. The work to be presented systematically investigates how different factors control the rate and extent of TNT reduction reactions as well as the mechanisms involved. Anaerobic batch studies show the fastest and most complete reduction of TNT in the presence of HFO and the humic analog AQDS. However, we also observe TNT removal by Cellulomonas in the absence of HFO and AQDS with similar TNT reduction rates but with the accumulation of less reduced and polymerized metabolites as analyzed by RP-HPLC with diode array detection. Autoclaved and non-inoculated samples show no significant transformation of TNT. The results suggest that the addition of AQDS (and thus potentially humic substances) can significantly improve the rate and extent of TNT reduction in iron reducing soil environments. A metabolic pathway map elucidating all the metabolites formed and the underlying mechanisms during the degradation of TNT by the Cellulomonas isolates is being established and will become a powerful tool in understanding the biogeochemical fate of TNT in soil environments.

  5. Corrigendum to "New constraints on kinetic isotope effects during CO2(aq) hydration and hydroxylation: Revisiting theoretical and experimental data" [Geochim. Cosmochim. Acta 214 (2017) 246-265

    Science.gov (United States)

    Sade, Ziv; Halevy, Itay

    2018-03-01

    The authors regret an error in the derivation of the link between KFFs and isotopic rate constants of CO2 hydration (Section 2.2). Considering the subset of isotopologues, C16O16O, C18O16O, H216O and H218O, there are four possible forward reactions: C16O16O + H216O → H2C16O16O16O,

  6. Treatment with the smallpox antiviral tecovirimat (ST-246) alone or in combination with ACAM2000 vaccination is effective as a postsymptomatic therapy for monkeypox virus infection.

    Science.gov (United States)

    Berhanu, Aklile; Prigge, Jonathan T; Silvera, Peter M; Honeychurch, Kady M; Hruby, Dennis E; Grosenbach, Douglas W

    2015-07-01

    The therapeutic efficacies of smallpox vaccine ACAM2000 and antiviral tecovirimat given alone or in combination starting on day 3 postinfection were compared in a cynomolgus macaque model of lethal monkeypox virus infection. Postexposure administration of ACAM2000 alone did not provide any protection against severe monkeypox disease or mortality. In contrast, postexposure treatment with tecovirimat alone or in combination with ACAM2000 provided full protection. Additionally, tecovirimat treatment delayed until day 4, 5, or 6 postinfection was 83% (days 4 and 5) or 50% (day 6) effective. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

  7. Synthesis and structure investigation of novel pyrimidine-2,4,6-trione derivatives of highly potential biological activity as anti-diabetic agent

    Science.gov (United States)

    Barakat, Assem; Soliman, Saied M.; Al-Majid, Abdullah Mohammed; Lotfy, Gehad; Ghabbour, Hazem A.; Fun, Hoong-Kun; Yousuf, Sammer; Choudhary, M. Iqbal; Wadood, Abdul

    2015-10-01

    Synthesis of (±)-1,3-dimethyl-5-(1-(3-nitrophenyl)-3-oxo-3-phenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione (3) is reported. The structure of compound 3 was deduced by using spectroscopic methods, X-ray crystallography, and DFT calculations. The calculated geometric parameters were found to be in good agreement with the experimental data obtained from the X-ray structure. The NBO calculations were performed to predict the natural atomic charges at the different atomic sites and to study the different intramolecular charge transfer (ICT) interactions. The high LP(3)O6 →z BD*(2)O5-N3 ICT interaction energy (165.36 kcal/mol) indicated very strong n → π* electron delocalization while the small LP(2)O → BD*(1)C-H ICT interaction energies indicated that the C-H … O intramolecular interactions are weak. The 1H and 13C NMR chemical shifts calculated using GIAO method showed good agreement with the experimental data. The calculated electronic spectra of the studied compound using TD-DFT method showed intense electronic transition band at 243.9 nm (f = 0.2319) and a shoulder at 260.2 nm (f = 0.1483) which were due to H-4/H-2/H-1/H → L+2 and H-5 → L electronic excitations, respectively. Compound 3 (IC50 = 305 ± 3.8 μM) was identified as a potent inhibitor of α-glucosidase in vitro and showed several fold more inhibition than the standard drug acarbose (IC50 = 841 ± 1.73 μM). Molecular docking of the synthesized compound was discussed.

  8. Comments on Li et al. Effects of in Utero Exposure to Dicyclohexyl Phthalate on Rat Fetal Leydig Cells. Int. J. Environ. Res. Public Health 2016, 13, 246

    DEFF Research Database (Denmark)

    Svingen, Terje

    2016-01-01

    Profiling the expression levels of genes or proteins in tissues comprising two or more cell types is commonplace in biological sciences. Such analyses present particular challenges, however, for example a potential shift in cellular composition, or ‘cellularity’, between specimens. That is, does ...

  9. Evaluation of the endocrine activity of 2,4,6-tribromophenol, benzanthrone and benzophenone-2 based on Appendix 7.8-5 of REACH guidance document

    DEFF Research Database (Denmark)

    Duis, Karen; Holbech, Henrik; Velasco-Santamaría, Yohana M.

    Within a project funded by the German Federal Environment Agency, the practicability of Appendix 7.8-5 of REACH guidance document R.7b was evaluated using three case study substances. Shortcomings in the guidance were identified. An assessment of potential endocrine activity in aquatic vertebrate...

  10. Scaling of light emission from detonating bare Composition B, 2,4,6-trinitrotoluene [C7H5(NO2)3], and PE4 plastic explosive charges

    CSIR Research Space (South Africa)

    Mostert, FJ

    2011-10-01

    Full Text Available It is well known that an intense flash of light is emitted when an explosive charge is detonated. The light emission continues well beyond the actual detonation process due to shock excitation of the air molecules around the charge, as well as post...

  11. Alginate beads supporting nanocomposites incorporating cyclodextrin polymers and fe/ni decorated carbon nanotubes for the removal of 2,4,6-trichlorophenol in water

    OpenAIRE

    2013-01-01

    M.Sc. (Chemistry) The quality of fresh water is deteriorating due to pollution by a wide range of substances as a result of industrial, agricultural, domestic, mining and other anthropogenic activities. Even at trace levels in water, some pollutants are toxic to organisms through acute or chronic effects or through bioaccumulation. Conventional water treatment is often ineffective at removing pollutants to the ultra-low levels required by water quality standards and other technologies empl...

  12. Synthesis and Low Temperature Spectroscopic Observation of 1,3,5-Trioxane-2,4,6-Trione: The Cyclic Trimer of Carbon Dioxide

    Science.gov (United States)

    2016-08-19

    Dewar flask with a viewing window feature. A 5% O3/O2 mixture from the ozone generator (10 V coronal discharge ) was delivered to the cold solution...orthocarbonate extended covalent structure of interconnected six-membered rings was predicted by model calculation with the finding of a stabilization energy...stability. The approach is that of a model compound synthesis where the trioxane ring is first generated from substituted aldehydes and then the

  13. A novel decontaminant and wound healant formulation of N,N'-dichloro-bis[2,4,6-trichlorophenyl]urea against sulfur mustard-induced skin injury.

    Science.gov (United States)

    Lomash, Vinay; Pant, Satish C

    2014-01-01

    Sulfur mustard (SM)-induced dermatotoxicity can be prevented by an immediate use of decontamination agents. However, practically due to the time lapse between decontamination and exposure, there is always a possibility of wound formation. In view of this, a hydrophilic decontamination formulation of CC-2 (DRDE/WH-03) was fortified with Aloe vera gel and betaine (DRDE/WH-01) for improving its wound healing ability. Swiss albino mice were exposed to SM percutaneously (5 mg/kg) once, and after 24 hours, DRDE/WH-01, DRDE/WH-03, framycetin, and aloe gel were applied topically, daily for 7 days. Skin sections were subjected to histopathology, histomorphologic grading, tissue leukocytosis, and immunohistochemistry of inflammatory-reparative biomarkers on 3 and 7 days, respectively. DRDE/WH-01, framycetin, and aloe gel showed better reepithelialization, angiogenesis, and fibroplasia compared with DRDE/WH-03 and SM control. On the basis of histomorphologic scale, DRDE/WH-01, framycetin, and aloe gel were found to be equally efficacious. Up-regulation of interleukin-6 and infiltrating leukocytes, endothelial nitric oxide synthase and angiogenesis, fibroblast growth factor, and transforming growth factor-alpha with fibroplasia and reepithelialization were well correlated at various stages of the healing process. DRDE/WH-01 was equally effective as framycetin and has shown improved wound healing efficacy compared with DRDE/WH-03. Thus, DRDE/WH-01 can be recommended as a universal decontaminant and wound healant against vesicant-induced skin injury. © 2014 by the Wound Healing Society.

  14. Assessing the acid properties of desilicated ZSM-5 by FTIR using CO and 2,4,6-trimethylpyridine (collidine) as molecular probes

    DEFF Research Database (Denmark)

    Holm, Martin Spangsberg; Svelle, S.; Joensen, F.

    2009-01-01

    . Clearly, defects represented by internal Si-OH sites are removed upon NaOH treatment. In a parallel manner, free Si-OH sites increase in concentration and the results point to a selective mechanism for formation of mesopores as the framework dissolution preferentially takes place at defective sites...

  15. CCDC 1477674: Experimental Crystal Structure Determination : (1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)-trimethyl-gallium

    KAUST Repository

    Wu, Melissa M.

    2017-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  16. The unusual stability of TATB (1,3,5-triamino-2,4,6-trinitrobenzene): A review of the scientific literature

    Energy Technology Data Exchange (ETDEWEB)

    Rice, S.F.; Simpson, R.L.

    1990-07-04

    This review is intended as an up-to-date review of the scientific literature on TATB since its discovery as a high explosive. In particular, it focuses on clarifying our current understanding of the relationship between the structure of TATB and its unique thermal stability. We review a large number of different publications by many authors. A small portion of the work on TATB'' presented actually consists of experimental studies on TATB formulated as PBX-9502 or as LX-17. Where relevant, this distinction is indicated. However, inasmuch as this review focuses on thermal response and the relationship of chemical reactivity to the molecular and lattice structure of TATB as a pure material, results from these other formulations may not be directly applicable, and in general we have omitted them. 4 refs.

  17. Non-ionic polyol contrast media from ionic contrast media; 2,4,6-trijod-isoftalamider og kontrastmedier inneholdende disse

    Energy Technology Data Exchange (ETDEWEB)

    Sovak, M.; Ranganathan, R.

    1995-10-16

    Novel non-ionic contrast media are efficiently prepared from generally available ionic contrast media or non-iodinated precursors. Particularly, polyhydroxyhalo-hydrocarbons are employed with a triiodo-substituted acylamido benzoic acids in aqueous weakly basic media to selectively substitute the amido nitrogen, followed by activation of the carboxyl group for amide formation.

  18. CCDC 933141: Experimental Crystal Structure Determination : (2-(bis(2,4,6-Trimethoxyphenyl)phosphino)benzenesulfonato)-(2,6-dimethylpyridine)-methyl-palladium dichloromethane solvate

    KAUST Repository

    Neuwald, B.

    2014-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  19. A Literature Review - Problem Definition Studies on Selected Toxic Chemicals. Volume 3. Occupational Health and Safety Aspects of 2,4,6-Trinitrotoluene (TNT)

    Science.gov (United States)

    1978-04-01

    susceptibility to TNT toxicity. Without evidence of the protective role of nutrition against TNT toxic’Ity, the manager of an ordnance plant in...England, in 1917, after noting that female employees complained from gastrointestinal upsets, undertook a nutrition program that resulted in a decreased...896-899. 46. Hayhoe, F. G. J. (1953): Aplastic anaemia occurring eight years after TNT poison- ing. Br. Med. J. 2:1143-1144. 47. Hamilton, A. M. (1946

  20. α7 Nicotinic Agonist AR-R17779 Protects Mice against 2,4,6-Trinitrobenzene Sulfonic Acid-Induced Colitis in a Spleen-Dependent Way

    Directory of Open Access Journals (Sweden)

    Andrea Grandi

    2017-11-01

    Full Text Available The existence of a cholinergic anti-inflammatory pathway negatively modulating the inflammatory and immune responses in various clinical conditions and experimental models has long been postulated. In particular, the protective involvement of the vagus nerve and of nicotinic Ach receptors (nAChRs has been proposed in intestinal inflammation and repeatedly investigated in DSS- and TNBS-induced colitis. However, the role of α7 nAChRs stimulation is still controversial and the potential contribution of α4β2 nAChRs has never been explored in this experimental condition. Our aims were therefore to pharmacologically investigate the role played by both α7 and α4β2 nAChRs in the modulation of the local and systemic inflammatory responses activated in TNBS-induced colitis in mice and to assess the involvement of the spleen in nicotinic responses. To this end, TNBS-exposed mice were sub-acutely treated with various subcutaneous doses of highly selective agonists (AR-R17779 and TC-2403 and antagonists (methyllycaconitine and dihydro-β-erythroidine of α7 and α4β2 nAChRs, respectively, or with sulfasalazine 50 mg/kg per os and clinical and inflammatory responses were evaluated by means of biochemical, histological and flow cytometry assays. α4β2 ligands evoked weak and contradictory effects, while α7 nAChR agonist AR-R17779 emerged as the most beneficial treatment, able to attenuate several local markers of colitis severity and to revert the rise in splenic T-cells and in colonic inflammatory cytokines levels induced by haptenization. After splenectomy, AR-R17779 lost its protective effects, demonstrating for the first time that, in TNBS-model of experimental colitis, the anti-inflammatory effect of exogenous α7 nAChR stimulation is strictly spleen-dependent. Our findings showed that the selective α7 nAChRs agonist AR-R17779 exerted beneficial effects in a model of intestinal inflammation characterized by activation of the adaptive immune system and that the spleen is essential to mediate this cholinergic protection.

  1. Treatment with the smallpox antiviral tecovirimat (ST-246) alone or in combination with ACAM2000 vaccination is effective as a postsymptomatic therapy for monkeypox virus infection

    National Research Council Canada - National Science Library

    Berhanu, Aklile; Prigge, Jonathan T; Silvera, Peter M; Honeychurch, Kady M; Hruby, Dennis E; Grosenbach, Douglas W

    2015-01-01

    The therapeutic efficacies of smallpox vaccine ACAM2000 and antiviral tecovirimat given alone or in combination starting on day 3 postinfection were compared in a cynomolgus macaque model of lethal...

  2. Diethyl 1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarboxylate

    Directory of Open Access Journals (Sweden)

    Arasambattu K. Mohanakrishnan

    2013-03-01

    Full Text Available The title compound, C28H26O5, is the Diels–Alder adduct from 1,3-diphenylbenzo[c]furan and diethyl maleate. The molecule comprises of a fused tricyclic system containing two five-membered rings, which are in envelope conformations with the O atom at the flap, and a six-membered ring adopting a boat conformation. The dihedral angle between phenyl substituents in the 1,8-positions is 55.1 (1°. The ethyl groups are disordered over two sets of sites, with occupancy ratios of 0.648 (9:0.352 (9 and 0.816 (1:0.184 (1. In the crystal, pairs of C—H...π interactions link the molecules into inversion dimers.

  3. Inhibitory effect of a formulated extract from multiple citrus peels on LPS-induced inflammation in RAW 246.7 macrophages

    Directory of Open Access Journals (Sweden)

    Tadahiro Etoh

    2013-06-01

    Full Text Available ABSTRACTBackground: Formulated Citrus Peel Extract (GL made from the peels of six citrus fruits available in Japan, namely navel oranges, citrus hassaku, citrus limon, citrus natsudaidai, citrus miyauchi and satsuma, was initially developed as a cosmetic product to protect skin from UV irradiation. Anecdotal evidences of anti-cancer property of GL have been reported by consumers based on the cases such as topical application for melanoma, and oral ingestion for prostate, lung and liver cancers.Those anecdotal reports stimulated us to investigate anti-tumorigenesis activity of GL. In the previous study, we reported that the topical application of GL inhibited DMBA/TPA-induced skin tumor formation by decreasing inflammatory gene parameters.Objective: In this study, we mainly investigated the effect of GL on translocation of NF-kB together with production of nitric-oxide and TNF-α induced by LPS in RAW 264.7 cells.Results: This investigation showed that GL decreased the release of TNF-α and nitric oxide from macrophage RAW264.7 cells stimulated by LPS in a dose-dependent manner. In addition, GL suppressed the expression of iNOS and nuclear translocation of NF-kB in RAW264.7 cells, inhibited the degradation of IκB-α, and scavenged hydroxyl radicals (DMPO/OH adduct in vitro.Conclusions: Our findings suggest that GL suppresses the inflammation in vitro, and exerts chemopreventive activity through the inhibition of production of TNF-α and iNOS proteins due to the inhibition of nuclear translocation of NF-kB and oxidative stress. GL appears to be a novel functional natural product capable of preventing inflammation and inflammation-associated tumorigenesis.Keywords: GL, Citrus peel extract, anti-inflammation, Nitric oxide, iNOS, NF-kB, TNF-α

  4. ORF Alignment: NT_037436 [GENIUS II[Archive

    Lifescience Database Archive (English)

    Full Text Available ila melanogaster] ... Length = 246 ... Query: 246 PTESFRDIGGMDSTLKELCEMLIHIKSPEFYFQXXXXXXXXXXXXXXXXCGKTFLARAIS 305 ... PTE...SFRDIGGMDSTLKELCEMLIHIKSPEFYFQ ... CGKTFLARAIS Sbjct: 1 ... PTESFRDIGGMDST

  5. 5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-3,5-dihydro-1H-pyrimidin-5-yl-3-methoxyphenyl]-5-hydroxy-3,5-dihydro-1H-pyrimidine-2,4,6-trione pentahydrate

    Directory of Open Access Journals (Sweden)

    Ravell Bengiat

    2016-02-01

    Full Text Available The title compound, C15H12N4O11·5H2O, has a `propeller-like' structure. The two alloxan units have screw-boat conformations. Their mean planes are normal to the central aromatic ring with dihedral angles of 87.91 (7 and 88.27 (7°, and they are inclined to one another by 40.86 (7°. In the crystal, molecules are linked via O—H...O and N—H...O hydrogen bonds, forming a three-dimensional framework. There are also C—H...O hydrogen bonds present within the framework.

  6. Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+).sub.x./sub. hydrogen trioxofluorophosphate(1-).sub.x./sub. monohydrate/2,4,6-triaminopyrimidinium(2+).sub.1–x./sub.trioxofluorophosphate(2–).sub.1–x./sub. monohydrate(0.0 < x < 0.73) with changing temperature

    Czech Academy of Sciences Publication Activity Database

    Matulková, I.; Fábry, Jan; Němec, I.; Císařová, I.; Vaněk, Přemysl

    2017-01-01

    Roč. 73, Jun (2017), s. 1114-1124 ISSN 2052-5206 Institutional support: RVO:68378271 Keywords : X-ray single-structure determination * hydrogen bonding * pi-pi-electron ring interactions * crystallographic databases * fluorine Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.032, year: 2016

  7. Discovery of isotopes of the transuranium elements with 93≤Z≤98

    Energy Technology Data Exchange (ETDEWEB)

    Fry, C.; Thoennessen, M., E-mail: thoennessen@nscl.msu.edu

    2013-01-15

    One hundred and five isotopes of the transuranium elements neptunium, plutonium, americium, curium, berkelium, and californium have been observed so far; the discovery of these isotopes is described. For each isotope a brief summary of the first refereed publication, including the production and identification method, is presented.

  8. Separation of Transplutonium Elements from Neutron Irradiated Americium-241

    National Research Council Canada - National Science Library

    UENO, Kaoru; WATANABE, Kenju; SAGAWA, Chiaki; ISHIMORI, Tomitaro

    1974-01-01

    .... The ratios of the amounts present of these isotopes were determined by mass spectrometry. It was not possible to identify 249Bk in the berkelium fraction owing to the interference from other β-ray emitting nuclides. In the californium fraction, both spontaneous fission and a-activities due to 250, 252 were observed.

  9. Neutron-Activated Gamma-Emission: Technology Review

    Science.gov (United States)

    2012-01-01

    flux sources developed for boron neutron capture therapy ( BNCT ), found to be an experimental success in cancer treatment (26). 30 Improved flux on...achievable Am americium API associated particle imaging B boron Be beryllium BNCT boron neutron capture therapy C carbon Cf californium Cl

  10. Structural interaction of novel dendrimer and subunits with water

    African Journals Online (AJOL)

    Preferred Customer

    trichlorotriazine (TCT) and 2,4,6-trihydroxytriazine (THT), the other molecules developed thixotropic solutions and 2,4,6-trichlorotriazine (TCT) and 2,4,6- trihydroxytriazine (THT) the rheotropic which does cause stronger interaction with higher ...

  11. 5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H-trione

    Directory of Open Access Journals (Sweden)

    Manfred Steimann

    2013-08-01

    Full Text Available The title compound, C15H18N4O7, is a product of the substitution reaction of 5,5-dibromo-1,3-dimethylbarbituric acid with sodium sulfide in aqueous acetone. In the crystal, molecules display neither intermolecular nor intramolecular hydrogen bonding and the two barbiturate rings adopt the keto form.

  12. Plant Uptake of 2,4,6-Trinitrotoluene, 4-Amino-2,6-Dinitrotoluene, and 2-Amino-4,6-Dinitrotoluene Using 14C-Labeled and Unlabeled Compounds

    Science.gov (United States)

    1988-11-01

    Most of the concern has resulted from the past practice of disposing of efflu- ents and other wastes directly into adjacent streams or into unlined...sponsorship, the US Army Cold Regions Research and Engineering Laboratory con- ducted a hydroponic study to quantify uptake of TNT and two of its...of soils followed by grinding to pass through a 2-mm sieve. Soils thus prepared were sealed in noncorrosive drums and stored in a greenhouse at 210 to

  13. Multivariate soil fertility relationships for predicting the environmental persistence of 2,4,6-trinitrotoluene (TNT) and 1,3,5-trinitro-1,3,5-tricyclohexane (RDX) among taxonomically distinct soils.

    Science.gov (United States)

    Katseanes, Chelsea K; Chappell, Mark A; Hopkins, Bryan G; Durham, Brian D; Price, Cynthia L; Porter, Beth E; Miller, Lesley F

    2017-12-01

    After nearly a century of use in numerous munition platforms, TNT and RDX contamination has turned up largely in the environment due to ammunition manufacturing or as part of releases from low-order detonations during training activities. Although the basic knowledge governing the environmental fate of TNT and RDX are known, accurate predictions of TNT and RDX persistence in soil remain elusive, particularly given the universal heterogeneity of pedomorphic soil types. In this work, we proposed overcoming this problem by considering the environmental persistence of these munition constituents (MC) as multivariate mathematical functions over a variety of taxonomically distinct soil types, instead of a single constant or parameter of a specific absolute value. To test this idea, we conducted experiments where the disappearance kinetics of TNT and RDX were measured over a >300 h period in taxonomically distinct soils. Classical fertility-based soil measurements were log-transformed, statistically decomposed, and correlated to TNT and RDX disappearance rates (k -TNT and k -RDX ) using multivariate dimension-reduction and correlation techniques. From these efforts, we generated multivariate linear functions for k parameters across different soil types based on a statistically reduced set of their chemical and physical properties: Calculations showed that the soil properties exhibited strong covariance, with a prominent latent structure emerging as the basis for relative comparisons of the samples in reduced space. Loadings describing TNT degradation were largely driven by properties associated with alkaline/calcareous soil characteristics, while the degradation of RDX was attributed to the soil organic matter content - reflective of an important soil fertility characteristic. In spite of the differing responses to the munitions, batch data suggested that the overall nutrient dynamics were consistent for each soil type, as well as readily distinguishable from the other soil types used in this study. Thus, we hypothesized that the latent structure arising from the strong covariance of full multivariate geochemical matrix describing taxonomically distinguished "soil types" may provide the means for potentially predicting complex phenomena in soils. Published by Elsevier Ltd.

  14. Hydrodynamic Qualities of a 1/10-Size Powered Dynamic Model of the XP5Y-1 Flying Boat in Smooth Water: Langley Tank Model 246, TED No. NACA DE 320

    Science.gov (United States)

    Woodward, David R.; Weinstein, Irving; Whitaker, Walter E., Jr.

    1947-01-01

    The hydrodynamic characteristics of a 1/10-size powered dynamic model of the XP5Y-1 flying boat were determined in Langley tank no. 1. Stable take-offs were possible at all practicable positions of the center of gravity and flap deflections. An increase in gross load from 123.5 to 150.0 pounds (21.5 percent) had only a slight effect on the stable range for take-off. A decrease in forward acceleration from 3.0 to 1.0 feet per second per second had only a very small effect on the stable range for take-off. In general, the landings were free from skipping except at trims below 6 deg where one skip was encountered at an aft position of the center of gravity. The model porpoised during the landing runout at all positions of the center of gravity when landed at trims above 10 deg. Spray in the propellers was light at the design gross load, and was not considered excessive,at a gross load of 136.0 pounds.

  15. Determinación del potencial de degradación anaeróbica de 2,4,6-trinitrotolueno (TNT) y tetranitrato de pentaeritritol (PETN) en suelos impactados con explosivos

    OpenAIRE

    García Galindo, Luisa Alejandra

    2014-01-01

    Este estudio evaluó el potencial de degradación anaeróbica de TNT y PETN por cultivos de enriquecimiento y cepas obtenidos a partir de tres suelos impactados con estos explosivos. Para la obtención de los cultivos de enriquecimiento se realizaron pases periódicos en medio mineral suplementado con una mezcla de TNT y PETN (50 mg/L c/u) con y sin fuentes de carbono bajo condiciones de anaerobiosis. Se evaluó la degradación monitoreando las concentraciones de los dos explosivos du...

  16. 4,4′,4′′-Tris(2-pyridyl-2,2′,2′′-[(2,4,6-trimethylbenzene-1,3,5-triyltris(methylenetris(sulfanediyl]tripyrimidine

    Directory of Open Access Journals (Sweden)

    Ya-Wen Zhang

    2009-08-01

    Full Text Available The title compound, C39H33N9S3, features a mesitylene unit substituted with three thioether arms. The distances from the center of mesitylene unit to the N atoms of the three pyridine rings in the arms are 10.05 (1, 9.94 (3 and 8.79 (3 Å. The crystal structure shows weak intramolecular C—H...N hydrogen bonds.

  17. A Review of the Literature on Social and Emotional Learning for Students Ages 3-8: Implementation Strategies and State and District Support Policies (Part 2 of 4). REL 2017-246

    Science.gov (United States)

    O'Conner, Rosemarie; De Feyter, Jessica; Carr, Alyssa; Luo, Jia Lisa; Romm, Helen

    2017-01-01

    Social and emotional learning (SEL) is the process by which children and adults learn to understand and manage emotions, maintain positive relationships, and make responsible decisions. This is the second in a series of four related reports about what is known about SEL programs for students ages 3-8. The report series addresses four issues raised…

  18. CCDC 1005758: Experimental Crystal Structure Determination : (mu2-eta5,eta5-Bi-(2,4,6-triethylcyclohexa-2,4-dien-1-yl))-bis(eta5-pentamethyl-cyclopentadienyl)-di-ruthenium

    KAUST Repository

    Mohapatra, Swagat K.

    2014-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  19. Laryngeal preservation in ENT oncology. Retrospective series of 246 patients managed in the Caen University Hospital and François Baclesse Cancer Care Center between 1998 and 2008.

    Science.gov (United States)

    Cuny, F; Meunier, A; Heutte, N; Rame, J-P; De Raucourt, D; Babin, E; Blanchard, D

    2015-06-01

    A 10-year retrospective study investigated factors for survival and laryngeal preservation in advanced laryngeal, hypopharyngeal or epilaryngeal neoplasia. Two hundred and forty-six patients with advanced cancer of the larynx (17.48%), hypopharynx (48.78%) or epilarynx (33.74%) undergoing primary organ-sparing treatment were included from 1998 to 2008. Treatment comprised chemotherapy followed by radiation therapy for 92.68% of patients, isolated radiation therapy for 1.6% and concomitant or sequential radiation-chemotherapy for 5.7%. General health status, history and tumor status were recorded. Factors influencing survival were analyzed by Kaplan-Meier estimator, log-rank test and Cox models. Median overall survival of the population was 2.3 years and median laryngeal preservation 0.99 years in male patients and 2 years in female patients. Survival correlated significantly with body mass index (BMI; P=0.0004), WHO performance status (P=0.0064), alcohol consumption (P=0.0004) and cessation (P<0.0001) and also T stage (P=0.0038), initial laryngeal mobility (P=0.0002) and post-chemotherapy assessment (P<0.0001). Survival with functional larynx correlated with baseline BMI at first consultation (P=0.016), baseline WHO grade (P=0.0005), laryngeal mobility (P<0.0001), T staging (P=0.0009), and T and/or N chemotherapy response to a classical organ preservation protocol (P<0.0001). Over and above established criteria, the present study highlighted the importance of general health and nutritional status during treatment. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  20. Environmental control implications of generating electric power from coal. Appendix C. Gasification/combined-cycle power generation: comparison of alternative systems. 1977 technology status report. [246 references w. abstracts

    Energy Technology Data Exchange (ETDEWEB)

    None

    1977-12-01

    The technical, economic, and environmental aspects of low-Btu gasification/combined-cycle power-generation (LBG/CCPG) plants are assessed, using available published data. Six base-case plants, based on three different gasifiers and two different coals, are investigated. A representative combined power cycle is selected for analysis, and material and energy balances for the six systems are developed. Emissions of various air pollutants, including sulfur dioxide and nitrogen oxides, and discharge rates of aqueous effluents are also calculated. The costs of electricity produced are derived for the six systems, using estimated plant-investment and operating costs. These costs and the emissions of various pollutants are compared with those for a conventional 500-MWe coal-based power plant using flue-gas cleaning and in compliance with the federal New Source Performance Standards. Finally, the commercialization potential of coal-based combined-cycle plants, based on the technical feasibility of building a first plant in the 1985 period and on economic viability, is evaluated. This evaluation is based on the current status of research and development programs for various components of the combined-cycle plant, such as gas turbines and fuel-gas-cleaning systems, and on the status of the demonstration plant.

  1. Bis[N-(2-hydroxyethyl-N-methyldithiocarbamato-κS][2,4,6-tris(pyridin-2-yl-1,3,5-triazine-κ3N1,N2,N6]zinc dioxane sesquisolvate

    Directory of Open Access Journals (Sweden)

    Edward R. T. Tiekink

    2012-03-01

    Full Text Available The asymmetric unit of the title compound, [Zn(C4H8NOS22(C18H12N6]·1.5C4H8O2, comprises a Zn-containing molecule and one and a half dioxane molecules as one of the solvent molecules is located about a crystallographic inversion centre. The approximately square-pyramidal N3S2 donor set is defined by two monodentate dithiocarbamate ligands and two pyridine and one triazine N atom from the tridentate triazine ligand. Molecules are connected into a supramolecular array via O—H...S and O—H...N hydrogen bonds. These stack along the b axis and the solvent molecules reside in the channels thus formed.

  2. CCDC 972836: Experimental Crystal Structure Determination : (2-(1-(1,3-bis(2,4,6-trimethylphenyl)-1H-imidazol-3-ium-2-yl)propan-2-ylidene)-1,3-oxazolidin-3-yl)-tris(pentafluorophenyl)-aluminium

    KAUST Repository

    Jianghua,

    2014-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  3. ORF Alignment: NC_003155 [GENIUS II[Archive

    Lifescience Database Archive (English)

    Full Text Available HLVPGSTTGK 180 ... Query: 246 VLELPIVLVGTPAQITAQVLAQRERYGFSYLTVLEPYMEAFAPVIEALR 294 ... VLELPIVLVGTPAQITAQVLAQRERYGFSYLTVLEPYME...AFAPVIEALR Sbjct: 241 VLELPIVLVGTPAQITAQVLAQRERYGFSYLTVLEPYMEAFAPVIEALR 289

  4. Solid-State Neutron Multiplicity Counting System Using Commercial Off-the-Shelf Semiconductor Detectors

    Energy Technology Data Exchange (ETDEWEB)

    Rozhdestvenskyy, S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-08-09

    This work iterates on the first demonstration of a solid-state neutron multiplicity counting system developed at Lawrence Livermore National Laboratory by using commercial off-the-shelf detectors. The system was demonstrated to determine the mass of a californium-252 neutron source within 20% error requiring only one-hour measurement time with 20 cm2 of active detector area.

  5. Cold valleys in the radioactive decay of 248−254Cf isotopes

    Indian Academy of Sciences (India)

    Geiger–Nuttal plots of log10(T1/2) vs. Q−1/2 for 48−52Ca emitting from various californium isotopes. Acknowledgement. One of the authors (KPS) would like to thank University Grants Commis- sion, Govt. of India for the financial support under project No. MRP(S)-. 352/2005(X Plan)/KLKA 002/UGC-SWRO. References.

  6. Directed evolution of the periodic table: probing the electronic structure of late actinides.

    Science.gov (United States)

    Marsh, M L; Albrecht-Schmitt, T E

    2017-07-25

    Recent investigations of the coordination chemistry and physical properties of berkelium (Z = 97) and californium (Z = 98) have revealed fundamental differences between post-curium elements and lighter members of the actinide series. This review highlights these developments and chronicles key findings and concepts from the last half-century that have helped usher in a new understanding of the evolution of electronic structure in the periodic table.

  7. Open Source: Potential in Latin America for Radiological Weapons

    Science.gov (United States)

    2010-03-01

    terrorist group would need to acquire a radioactive isotope with a relatively short half-life. 36,37 As an aside, the IAEA verified that depleted...cns.miis.edu/npr/pdfs/123salama.pdf (accessed March 3, 2010), Useful RDD isotopes include cobalt-60, strontium-90, yttrium-90, iridium-192, cesium-137...plutonium-238, radium -226, americium-241, and californium-252. 37 Hansell and Salama, “Does intent equal capability?,” 640-641. 38 Internation Atomic

  8. Download this PDF file

    African Journals Online (AJOL)

    abp

    2013-02-12

    Feb 12, 2013 ... 30.9. 1. 30.9. 1. 30.9. 1. 30.9. Compressed Air Cylinder. 123.5. 2. 246.9. 2. 246.9. 2. 246.9. Oxygen Cylinder. 123.5. 2. 246.9. 2. 246.9. 2. 246.9. Total. 1,362.2. 3,534.6. 1,306.5. ASD: Atrial Septal Defect; MVR: Mitral Valve Replacement; OPCAB: Off Pump Coronary Artery Bypass Grafting, Qty: Quantity ...

  9. Protein (Cyanobacteria): 281805 [PGDBj - Ortholog DB

    Lifescience Database Archive (English)

    Full Text Available se with PAS/PAC and GAF sensors Oscillatoria nigro-viridis PCC 7112 MYLILPDLYANMTYQIDERLNTSPCGFLSFADDGTIVMVN...YP_007118829.1 1117:4890 1150:2464 1158:318 482564:246 179408:246 diguanylate cycla

  10. Protein (Cyanobacteria): 281754 [PGDBj - Ortholog DB

    Lifescience Database Archive (English)

    Full Text Available se with PAS/PAC and GAF sensors Oscillatoria nigro-viridis PCC 7112 MLYNNEILPTLTVESSPRSMNILLYKLLSLRRIEYIAVDR...YP_007115817.1 1117:4890 1150:2464 1158:318 482564:246 179408:246 diguanylate cycla

  11. Protein (Cyanobacteria): 281806 [PGDBj - Ortholog DB

    Lifescience Database Archive (English)

    Full Text Available se with PAS/PAC and GAF sensors Oscillatoria nigro-viridis PCC 7112 MIEESKSIKEKFGVLDSVPVGACLLQDDFVVLFWNTCLEE...YP_007117793.1 1117:4890 1150:2464 1158:318 482564:246 179408:246 diguanylate cycla

  12. Gclust Server: 92492 [Gclust Server

    Lifescience Database Archive (English)

    Full Text Available 92492 Pm3_Pro0295=amtB Cluster Sequences Related Sequences(246) 502 Ammonia permeas...r sequences Cluster Sequences Link to related sequences Related Sequences(246) Sequence length 502 Representative annotation Ammonia

  13. ORF Alignment: NC_003911 [GENIUS II[Archive

    Lifescience Database Archive (English)

    Full Text Available 121 RTPKEAEDGTLDAMVGCDEALMKTITPVIDCWAGTITRIGPVGAGHKMKLLMNFLGGAYA 180 ... Query: 246 RYVNAMATEAGVVNIMASAARHYYTHA...EAQGAGQDFVPMLSNHVGALNGLDMDEVTR 302 ... RYVNAMATEAGVVNIMASAARHYYTHAEAQGAGQDFVPMLSNHVGALNGLDMDEVTR Sbjct: 241 RYVNAMATEAGVVNIMASAARHYYTHAEAQGAGQDFVPMLSNHVGALNGLDMDEVTR 297

  14. ORF Alignment: NT_037436 [GENIUS II[Archive

    Lifescience Database Archive (English)

    Full Text Available ila melanogaster] ... Length = 246 ... Query: 152 PTESFRDIGGMDSTLKELCEMLIHIKSPEFYFQXXXXXXXXXXXXXXXXCGKTFLARAIS 211 ... PTE...SFRDIGGMDSTLKELCEMLIHIKSPEFYFQ ... CGKTFLARAIS Sbjct: 1 ... PTESFRDIGGMDST

  15. Experimental Investigation of the Role of Defects in Detonation Sensitivity of Energetic Materials: Development of Techniques for Characterization

    Science.gov (United States)

    2009-12-31

    nitroaniline N,N-dimethyl-3-nilroanilinc N,N-dimethyl-4-nitroaniline 4- nitrotoluene IIMX, 1,3,5,7-tetranitro-1,3,5,7-tetra-azacyclo-octanc 2,4,6...dimethylbenzene 1 -ethoxy-2,4,6-trinitrobenzene 1,2-dinitrobenzene 2,4,6-trinitrotoluene 2,4-dinitro toluene andy in all crystal structures in the

  16. Bacterial removal of toxic phenols from an industrial effluent | Lin ...

    African Journals Online (AJOL)

    isolate, identified as Pseudomonas fluorescens, was obtained using the enrichment process with 2,4,6-trichlorophenol (2,4,6-TCP) as a sole carbon source. This isolate was found to be able to degrade various highly chlorinated phenolic compounds such as pentachlorophenol, 2,4,5-TCP, 2,4,6-TCP as well as phenol, ...

  17. 76 FR 33166 - Defense Federal Acquisition Regulation Supplement (DFARS); Warranty Tracking of Serialized Items...

    Science.gov (United States)

    2011-06-08

    ... 252.246-7005, and included in the clause at 252.246-7006. Electronic business systems are being... the various business systems possible without modifying every DoD contract writing system. DFARS 246... administrator enterprise identifier'' was revised to include the term ``globally unique'' identifier code. The...

  18. Crystal structures and conformations of two Diels–Alder adduct derivatives: 1,8-bis(thiophen-2-yl-14-oxatetracyclo[6.5.1.02,7.09,13]tetradeca-2(7,3,5-trien-10-one and 1,8-diphenyl-14-oxatetracyclo[6.5.1.02,7.09,13] tetradeca-2,4,6-trien-10-one

    Directory of Open Access Journals (Sweden)

    S. Gopinath

    2015-02-01

    Full Text Available The title compounds, C21H16O2S2 (I and C25H20O2 (II, are products of a tandem `pincer' Diels–Alder reaction consisting of [2 + 2] cycloadditions between benzo[c]furan and cyclopentanone. Each comprises a fused tetracyclic ring system containing two five-membered rings (in envelope conformations with the O atom as the flap and six-membered rings (in boat conformations. In addition, two thiophene rings in (I and two phenyl rings in (II are attached to the tetracyclic ring system. The cyclopentanone ring adopts a twisted conformation in (I and an envelope conformation in (II. In (I, the thiophene rings are positionally disordered over two sets of sites, with occupancy ratios of 0.901 (2:0.099 (2 and 0.666 (2:0.334 (2. In (II, the oxygen atom of the cyclopentanone ring is rotationally disordered over two sites with an occupancy ratio of 0.579 (4:0.421 (4. The molecular structure of (I is stabilized by an intramolecular C—H...O hydrogen bond, which generates an S(7 ring motif. In the crystal, the molecules are linked via weak C—H...O hydrogen bonds, which generate R22(16 ring motifs in (I and C(8 chains in (II. In both structures, the crystal packing also features C—H...π interactions. The crystal studied of compound (I was twinned by non-merohedry. The twin component is related by the twin law [−1 0 0 −0.101 1 −0.484 0 0 −1] operated by a twofold rotation axis parallel to the b axis. The structure of (I was refined with a twin scale factor of 0.275 (2.

  19. Bis(μ-azido-κ2N1:N1bis{(acetato-κ2O,O′[2,4,6-tris(2-pyridyl-1,3,5-triazine-κ3N2,N1,N6]lead(II}

    Directory of Open Access Journals (Sweden)

    Edward R. T. Tiekink

    2011-10-01

    Full Text Available The complete dinuclear title complex, [Pb2(C2H3O22(N32(C18H12N62], is generated by the application of a crystallographic centre of inversion. The PbII atom is coordinated by three N atoms of the tridentate ligand, two O atoms derived from an asymmetrically coordinating acetate ligand, and two azido-N atoms derived from two asymmetrically bridging azido ligands. The metal coordination geometry can be described as a square anti-prism with one position occupied by an unseen lone pair of electrons. In the ligand, the two coordinating pyridine rings are almost co-planar with the central pyrazine ring [dihedral angles = 0.47 (17 and 0.83 (18°], but the terminal ring is twisted [dihedral angle = 19.76 (18°]. In the crystal, the presence of π–π interactions [ring centroid distance between pyridyl rings = 3.581 (2 Å] leads to supramolecular chains along the a-axis direction.

  20. DOI: 10.4025/actascibiolsci.v33i3.8011 Acta Scientiarum. Biological Sciences Maringá, v. 33, n. 3, p. 239-246, 2011 Acute inflammatory response in Nile tilapia fed probiotic Lactobacillus plantarum in the diet = Resposta inflamatória aguda em tilápia do Nilo alimentada com probiótico, Lactobacillus plantarum na dieta

    Directory of Open Access Journals (Sweden)

    Geovana Dotta

    2011-07-01

    Full Text Available The present study evaluated the acute inflammatory response induced bycarrageenin (500 £gg injected in the swim bladder of Nile tilapia, after fed or not probiotic supplemented diet. Fifty four fish were distributed in six treatments and three replicates: Group A: Fish fed unsupplemented diet: 0.5 mL saline-injected fish; fish injected with 500 £gg carrageenin diluted in 0.5 mL saline; Non-injected. Group B: Fish fed probiotic supplemented diet: saline-injected fish; carrageenin-injected fish; Non-injected. Fifteen days after feeding the fish were injected with carrageenin or saline. After six hours, inflammatory exudate was collected, as well as the blood for hematocrit, red blood cell (RBC and white blood cell (WBC counts, differential count of leucocytes and phagocytic activity in the blood. Supplementation with probiotic did not influence the RBC, hematocrit and the numbers of lymphocytes and basophils in the blood. The number of neutrophils was significantly higher in supplemented fish injected with carrageenin. Glucose concentration in supplemented and non-injected fish was higher than that observed in the saline injected ones. Probiotic potentialized the migration of cells to the inflammatory focus in the animals injected with the carrageenin irritant. In fish injected with saline and carrageenin occurred the greatest phagocytic activity in the blood in relation to those treatments.Este trabalho avaliou a resposta inflamatoria aguda induzida por injecao de carragenina (500 ƒÝg na bexiga natatoria de tilapia do Nilo suplementada ou nao com probiotico na racao. Cinquenta e quatro animais foram distribuidos em seis tratamentos com tres repeticoes: Grupo A: peixes alimentados com racao naosuplementada: Controle (injecao de 0,5 mL de solucao salina esteril; Carragenina (injecao de500 £gg de carragenina; Nao-injetada. Grupo B: peixes alimentados com racao suplementada com probiotico: Controle; Carragenina; Nao-injetada. Apos 15 dias de alimentacao foi injetado carragenina ou salina. Apos 6h, realizou-se a coleta de exsudato e sangue para determinacao do hematocrito, contagens totais de eritrocitos, leucocitos, contagem diferencial de leucocitos e atividade fagocitaria no sangue. A suplementacao com probiotico na racao nao influenciou o numero total de eritrocitos, o hematocrito e os numeros de linfocitos e basofilos no sangue dos animais. O numero de neutrofilos foi maior nos peixes suplementados com probiotico einjetados com carragenina. A glicose nos peixes suplementados com probiotico nao-injetados foi maior do que nos injetados com salina. A suplementacao com probiotico potencializou a migracao de celulas para o foco inflamatorio nos injetados com o flogogeno carragenina. Empeixes injetados com salina e carragenina, ocorreu maior atividade fagocitaria no sangue em relacao aos demais tratamentos.

  1. PROCEEDINGS OF THE SYMPOSIUM COMMEMORATING THE 25th ANNIVERSARY OF ELEMENTS 97 and 98 HELD ON JAN. 20, 1975

    Energy Technology Data Exchange (ETDEWEB)

    Seaborg, Glenn T.; Street Jr., Kenneth; Thompson, Stanley G.; Ghiorso, Albert

    1976-07-01

    This volume includes the talks given on January 20, 1975, at a symposium in Berkeley on the occasion of the celebration of the 25th anniversary of the discovery of berkelium and californium. Talks were given at this symposium by the four people involved in the discovery of these elements and by a number of people who have made significant contributions in the intervening years to the investigation of their nuclear and chemical properties. The papers are being published here, without editing, in the form in which they were submitted by the authors in the months following the anniversary symposium, and they reflect rather faithfully the remarks made on that occasion.

  2. Composition containing transuranic elements for use in the homeopathic treatment of aids

    Energy Technology Data Exchange (ETDEWEB)

    Lustig, D.

    1996-04-18

    A homeopathic remedy consisting of a composition containing one or more transuranic elements, particularly plutonium, for preventing and treating acquired immunodeficiency syndrome (AIDS) in humans, as well as seropositivity for human immunodeficiency virus (HIV). Said composition is characterized in that it uses any chemical or isotopic form of one or more transuranic elements (neptunium, plutonium, americium, curium, berkelium, californium or einsteinium), particularly plutonium, said form being diluted and dynamized according to conventional homeopathic methods, particularly the so-called Hahnemann and Korsakov methods, and provided preferably but not exclusively in the form of lactose and/or saccharose globules or granules impregnated with the active principle of said composition. (author).

  3. Advanced development of the spectrum sciences Model 5005-TF, single-event test fixture

    Energy Technology Data Exchange (ETDEWEB)

    Ackermann, M.R.; Browning, J.S. (Sandia National Labs., Albuquerque, NM (USA)); Hughlock, B.W. (Boeing Aerospace and Electronics Co., Seattle, WA (USA)); Lum, G.K. (Lockheed Missiles and Space Co., Sunnyvale, CA (USA)); Tsacoyeanes, W.C. (Draper (Charles Stark) Lab., Inc., Cambridge, MA (USA)); Weeks, M.D. (Spectrum Sciences, Inc., Santa Clara, CA (USA))

    1990-09-01

    This report summarizes the advanced development of the Spectrum Sciences Model 5005-TF, Single-Event Test Fixture. The Model 5005-TF uses a Californium-252 (Cf-252) fission-fragment source to test integrated circuits and other devices for the effects of single-event phenomena. Particle identification methods commonly used in high-energy physics research and nuclear engineering have been incorporated into the Model 5005-TF for estimating the particle charge, mass, and energy parameters. All single-event phenomena observed in a device under test (DUT) are correlated with an identified fission fragment, and its linear energy transfer (LET) and range in the semiconductor material of the DUT.

  4. TOWARD AN IMPROVED UNDERSTANDING OF STRUCTURE AND MAGNETISM IN NEPTUNIUM AND PLUTONIUM PHOSPHONATES AND SULFONATES

    Energy Technology Data Exchange (ETDEWEB)

    Albrecht-Schmitt, Thomas

    2012-03-01

    This grant supported the exploratory synthesis of new actinide materials with all of the actinides from thorium to californium with the exceptions of protactinium and berkelium. We developed detailed structure-property relationships that allowed for the identification of novel materials with selective ion-exchange, selective oxidation, and long-range magnetic ordering. We found novel bonding motifs and identified periodic trends across the actinide series. We identified structural building units that would lead to desired structural features and novel topologies. We also characterized many different spectroscopic trends across the actinide series. The grant support the preparation of approximately 1200 new compounds all of which were structurally characterized.

  5. Detection of rare earth elements in Powder River Basin sub-bituminous coal ash using laser-induced breakdown spectroscopy (LIBS)

    Energy Technology Data Exchange (ETDEWEB)

    Tran, Phuoc [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United State; Mcintyre, Dustin [National Energy Technology Lab. (NETL), Pittsburgh, PA, (United State

    2015-10-01

    We reported our preliminary results on the use of laser-induced breakdown spectroscopy to analyze the rare earth elements contained in ash samples from Powder River Basin sub-bituminous coal (PRB-coal). We have identified many elements in the lanthanide series (cerium, europium, holmium, lanthanum, lutetium, praseodymium, promethium, samarium, terbium, ytterbium) and some elements in the actinide series (actinium, thorium, uranium, plutonium, berkelium, californium) in the ash samples. In addition, various metals were also seen to present in the ash samples

  6. Characterization of Coconut cadang-cadang viroid variants from oil palm affected by orange spotting disease in Malaysia.

    Science.gov (United States)

    Wu, Y H; Cheong, L C; Meon, S; Lau, W H; Kong, L L; Joseph, H; Vadamalai, G

    2013-06-01

    A 246-nt variant of Coconut cadang-cadang viroid (CCCVd) has been identified and described from oil palms with orange spotting symptoms in Malaysia. Compared with the 246-nt form of CCCVd from coconut, the oil palm variant substituted C(31)→U in the pathogenicity domain and G(70)→C in the central conserved domain. This is the first sequence reported for a 246-nt variant of CCCVd in oil palms expressing orange spotting symptoms.

  7. ORF Alignment: NC_004578 [GENIUS II[Archive

    Lifescience Database Archive (English)

    Full Text Available ... Length = 246 ... Query: 6 ... SLTQHMVRRPQRIALLQHIAEQGSITRAAKSAGLSYKAAWDAIDELNN...LAQKPLVERSVX 65 ... SLTQHMVRRPQRIALLQHIAEQGSITRAAKSAGLSYKAAWDAIDELNNLAQKPLVERSV ... Sbjct: 1 ... SLTQHMVRR...PQRIALLQHIAEQGSITRAAKSAGLSYKAAWDAIDELNNLAQKPLVERSVG 60 ... Query: 126 AAITRQGHHDQVRLQLADEVFIEAQVTHDSTRDLGLEVGTD

  8. Antiandrogenic effects in vitro and in vivo of the fungicide prochloraz

    DEFF Research Database (Denmark)

    Vinggaard, A.M.; Nellemann, Christine Lydia; Dalgaard, M.

    2002-01-01

    The commonly used imidazole fungicide prochloraz was tested for antiandrogenic effects in vitro and in vivo. Prochloraz, but not the metabolites 2,4,6-trichlorophenoxyacetic acid or 2,4,6-trichlorophenol, inhibited the R1881-induced response in an androgen receptor reporter gene assay. In the Her......The commonly used imidazole fungicide prochloraz was tested for antiandrogenic effects in vitro and in vivo. Prochloraz, but not the metabolites 2,4,6-trichlorophenoxyacetic acid or 2,4,6-trichlorophenol, inhibited the R1881-induced response in an androgen receptor reporter gene assay...

  9. ORF Alignment: NC_002939 [GENIUS II[Archive

    Lifescience Database Archive (English)

    Full Text Available IGGTNLRMGLVDEAGTILFRFRQKTDIHEGRAAFYEKLAEGIGILKEHAEQAGFR 60 ... Query: 126 GAGREFDSFLMXXXXXXXXXXXILNGRLWTGIDGVAGEFGHVTVEPQGTSCPC...GNRGCLE 185 ... GAGREFDSFLM ... ILNGRLWTGIDGVAGEFGHVTVEPQGTSCPCGNRGCLE Sbjct: 1...21 GAGREFDSFLMVTLGTGVGGGLILNGRLWTGIDGVAGEFGHVTVEPQGTSCPCGNRGCLE 180 ... Query: 246 A

  10. CCDC 972511: Experimental Crystal Structure Determination : 10,11,21,22-tetra-(2,4,6-trimethylphenyl)-2,13-bis(3,5-di-t-butylphenyl)-2,14,16a,19b,21,22b-hexahydrodiphenanthro[1,10,9,8-cdefg:1,10,9,8-c'd'e'f'g']s-indaceno[2,1-a:6,5-a']dicarbazole

    KAUST Repository

    Das, Soumyajit

    2014-01-01

    An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

  11. Epicotyl morphophysiological dormancy in seeds of Lilium

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Biosciences; Volume 38; Issue 1 ... High Altitude Plant Physiology Research Centre, Srinagar, Pauri Garhwal 246 174 Uttarakhand, India; Department of Forestry & Natural Resources, School of Agriculture & Allied Sciences, HNB Garhwal University, Srinagar, Pauri Garhwal 246 174, Uttarakhand ...

  12. causes of sudden natural death: a medico-legal autopsy study

    African Journals Online (AJOL)

    2012-10-10

    Oct 10, 2012 ... sudden natural death was cardio-vascular disease and that the complications of hypertension .... were valvular heart disease, 3.2% (8/246); ischaemic heart disease, 2.8% (7/246); Hypertrophic cardio- ... and acute severe asthma occurred in 18% (14/78) and 10% (8/78) of cases respectively (Table 3).

  13. 48 CFR 2152.070 - Applicable clauses.

    Science.gov (United States)

    2010-10-01

    ...-23Assignment of Claims 52.232-33Payment by Electronic Funds Transfer—Central Contractor Registration 52.233... 52.242-13Bankruptcy 52.244-5Competition in Subcontracting 52.245-2Government Property (Fixed-Price Contracts) 52.246-4Inspection of Services—Fixed Price 52.246-25Limitation of Liability—Services 52.247...

  14. bu ke kao xu shu zhe zhi zai shen shi (不可靠叙述者之再审视)

    DEFF Research Database (Denmark)

    Hansen, Per Krogh

    2008-01-01

    Kinesisk oversættelse af "Reconsidering the Unreliable Narrator" in Semiotica 165 - 1/4 2007: 227-246. Oversætter: Shang Biwu.......Kinesisk oversættelse af "Reconsidering the Unreliable Narrator" in Semiotica 165 - 1/4 2007: 227-246. Oversætter: Shang Biwu....

  15. Relationship between Indian summer monsoon rainfall and position of Pacific Ocean warm pool

    Digital Repository Service at National Institute of Oceanography (India)

    Gopinathan, C.K.; Sastry, J.S

    stream_size 5 stream_content_type text/plain stream_name Indian_J_Mar_Sci_19_246.pdf.txt stream_source_info Indian_J_Mar_Sci_19_246.pdf.txt Content-Encoding ISO-8859-1 Content-Type text/plain; charset=ISO-8859-1 ...

  16. Browse Title Index

    African Journals Online (AJOL)

    Items 201 - 246 of 246 ... Vol 11, No 1 (2014), Susceptibility of clinical isolates of uropathogenic bacteria from Southwest Nigeria to antibiotics and extracts of Brachystegia eurycoma Harms (Leguminosae), Abstract. PA Idowu, BM Okanlawon. Vol 12, No 2 (2015), Synergistic effect of Murraya koenigii and Telfairia occidentalis ...

  17. The Preparation and Reaction of Phenyl-Substituted Pyrylium and Pyridinium Salts.

    Science.gov (United States)

    Awartani, Radi; And Others

    1986-01-01

    Describes this reaction sequence involving reactivity and synthesis of heterocycles: (1) synthesis of 2,4,6-triphenylpyrylium tetrafluoroborate, II; (2) its reaction with nucleophiles; (3) reaction of pyrylium salt II with a primary amine (benzylamine, p-methoxybenzylamine, and furfurylamine) to form the N-substituted-2,4,6-triphenylpyridinium…

  18. GETDB: 104061 [GETDB

    Lifescience Database Archive (English)

    Full Text Available , weak epi internal lethal - comment1:A, comment2:46A1 - - - - Show 104061 DGRC N...ment1:A, comment2:46A1 Disc (Image) - Disc (number) 0 Embryo (Image) - Embryo (numb...GFP sg Larval X-gal sg, weak epi Adult GFP internal Lethality lethal Also known as - Original Comments com

  19. AcEST: BP920054 [AcEST

    Lifescience Database Archive (English)

    Full Text Available its) Value sp|Q9P246|STIM2_HUMAN Stromal interaction molecule 2 OS=Homo sap... 33 0.85 sp|P59438|HPS5_MOUSE Herman...LHDNH 246 +++R I SP P+R +A + P SHP H +H Sbjct: 514 RSRRSIVPSSPQPQRAQLAPHAPHPSHPRHPHH 546 >sp|P59438|HPS5_MOUSE Herman

  20. USING ROTIFER POPULATION DEMOGRAPHIC PARAMETERS TO ASSESS IMPACTS OF THE DEGRADATION PRODUCTS FROM TRINITROTOLUENE PHYTOREMEDIATION

    Science.gov (United States)

    The objective of this study was to evaluate the aquatic chronic lethal and sublethal toxicity effects from the phytoremediation of water contaminated with 2,4,6-trinitrotoluene (2,4,6-TNT) by the wetland plant species Myriophyllum aquaticum (parrot feather). Rotifers (Brachionus...

  1. Drug: D10072 [KEGG MEDICUS

    Lifescience Database Archive (English)

    Full Text Available D10072 Drug Levomilnacipran (USAN/INN) C15H22N2O 246.1732 246.348 D10072.gif Antidepressant...0] [KO:K05035] hsa04726(6532) Serotonergic synapse USP drug classification [BR:br08302] Antidepressants SSRI

  2. Drug: D08222 [KEGG MEDICUS

    Lifescience Database Archive (English)

    Full Text Available D08222 Drug Milnacipran (INN) C15H22N2O 246.1732 246.348 D08222.gif Antidepressant ...idepressants map07234 Neurotransmitter transporter inhib...or [HSA:6532] [KO:K05037]; noradrenalin transporter inhibitor [HSA:6530] [KO:K05035] hsa04726(6532) Serotonergic synapse map07027 Ant

  3. 75 FR 15603 - Special Supplemental Nutrition Program for Women, Infants and Children (WIC): Vendor Cost...

    Science.gov (United States)

    2010-03-30

    ... Service 7 CFR Part 246 RIN 0584-AD71 Special Supplemental Nutrition Program for Women, Infants and... Register on October 8, 2009, entitled ``Special Supplemental Nutrition Program for Women, Infants and... NUTRITION PROGRAM FOR WOMEN, INFANTS, AND CHILDREN 0 1. The authority citation for part 246 continues to...

  4. Experimental studies on removal of airborne haloanisoles by non-thermal plasma air purifiers

    DEFF Research Database (Denmark)

    Fang, Lei; Hallam, David; Bermúdez, Raúl

    2016-01-01

    A laboratory study was conducted to test the performance of non-thermal plasma air purifiers on its removal effectiveness of two haloanisoles – 2,4,6-trichloroanisole (TCA) and 2,4,6-Tribromoanisole (TBA). TCA and TBA are the two major compounds found in wine cellars that can contaminate wine to ...

  5. A Novel Brominated Triazine-based Flame Retardant (TTBP-TAZ) in Plastic Consumer Products and Indoor Dust

    NARCIS (Netherlands)

    Ballesteros Gomez, A.M.; de Boer, J.; Leonards, P.E.G.

    2014-01-01

    The presence of a novel brominated flame retardant named 2,4,6-tris(2,4,6-tribromophenoxy)-1,3,5-triazine (TTBP-TAZ) is reported for the first time in plastic parts of consumer products and indoor dust samples. TTBP-TAZ was identified by untargeted screening and can be a replacement of the banned

  6. Drug: D05468 [KEGG MEDICUS

    Lifescience Database Archive (English)

    Full Text Available D05468 Drug Phthalofyne (USAN); Ftalofyne (INN) C14H14O4 246.0892 246.2586 D05468.gif Anthelmintic [veterina...ry] CAS: 131-67-9 PubChem: 47207137 LigandBox: D05468 NIKKAJI: J5.564F ATOM 18 1 C8

  7. Characterization of a functionally important and evolutionarily well-conserved epitope mapped to the short consensus repeats of E-selectin and L-selectin.

    Science.gov (United States)

    Jutila, M A; Watts, G; Walcheck, B; Kansas, G S

    1992-06-01

    Selectins represent a new family of adhesion molecules, expressed by leukocytes and endothelial cells, that are involved in the regulation of leukocyte traffic. Here we have characterized a new monoclonal antibody (mAb) (EL-246) that recognizes both human leukocyte L-selectin (previously called LAM-1, LECAM-1, or gp90MEL-14) and endothelial cell E-selectin (previously called ELAM-1). EL-246 recognized a 110-kD protein expressed on cells transfected with E-selectin cDNA and stained many postcapillary venules in inflamed human tonsil. EL-246 also stained human peripheral blood leukocytes and showed identity with anti-L-selectin mAb in two-color flow cytometric analysis. The expression of the leukocyte EL-246 antigen was regulated in the same manner as L-selectin and EL-246 recognized anti-L-selectin mAb affinity-purified antigen in SDS/PAGE Western blot analysis. Further, L-selectin cDNA transfectants were specifically stained by EL-246. EL-246 blocked greater than 95% of lymphocyte adhesion to peripheral lymph node high endothelial venules and greater than 90% of neutrophil adhesion to E-selectin transfectants. In addition to the EL-246 epitope being expressed on two different human selectins, it was detected on L-selectin from a variety of different animals. Interestingly, domain mapping studies localized the EL-246 epitope to the short consensus repeat (SCR) domains of L-selectin. EL-246 is the first mAb that recognizes two different selectins and potentially defines a functional epitope encoded by the SCR domains. Inhibitors of selectin function targeted to this region would be expected to have the added advantage of simultaneously blocking the activity of two distinct adhesion proteins involved in inflammation.

  8. Measurements of the neutron capture cross sections and incineration potentials of minor-actinides in high thermal neutron fluxes: Impact on the transmutation of nuclear wastes; Mesures des sections efficaces de capture et potentiels d'incineration des actinides mineurs dans les hauts flux de neutrons: Impact sur la transmutation des dechets

    Energy Technology Data Exchange (ETDEWEB)

    Bringer, O

    2007-10-15

    This thesis comes within the framework of minor-actinide nuclear transmutation studies. First of all, we have evaluated the impact of minor actinide nuclear data uncertainties within the cases of {sup 241}Am and {sup 237}Np incineration in three different reactor spectra: EFR (fast), GT-MHR (epithermal) and HI-HWR (thermal). The nuclear parameters which give the highest uncertainties were thus highlighted. As a result of fact, we have tried to reduce data uncertainties, in the thermal energy region, for one part of them through experimental campaigns in the moderated high intensity neutron fluxes of ILL reactor (Grenoble). These measurements were focused onto the incineration and transmutation of the americium-241, the curium-244 and the californium-249 isotopes. Finally, the values of 12 different cross sections and the {sup 241}Am isomeric branching ratio were precisely measured at thermal energy point. (author)

  9. A gas secondary electron detector

    CERN Document Server

    Drouart, A; Alamanos, N; Auger, F; Besson, P; Bougamont, E; Bourgeois, P; Lobo, G; Pollacco, E C; Riallot, M

    2002-01-01

    A new Secondary Electron gas Detector (SED) is under development to be used in conjunction with an emissive foil to detect low energy heavy ions as an alternative to micro-channel plates. It could measure position and time of flight. Secondary electrons are accelerated to 10 keV so that they can cross through the 0.9 mu m Mylar entrance window. The electrons then are multiplied in the isobutane gas of the detector at 4-10 Torr. A time resolution of 150 ps and a spatial resolution of 3 mm have been obtained by using californium fission fragments on a prototype detector of 7x7 cm sup 2. The advantage of the SED against MCP is that its size is not limited. Our final goal is to build a large size detector (15x40 cm sup 2) that will operate at the focal plane of the VAMOS magnetic spectrometer at GANIL.

  10. Environmental assessment of the thermal neutron activation explosive detection system for concourse use at US airports

    Energy Technology Data Exchange (ETDEWEB)

    Jones, C.G.

    1990-08-01

    This document is an environmental assessment of a system designed to detect the presence of explosives in checked airline baggage or cargo. The system is meant to be installed at the concourse or lobby ticketing areas of US commercial airports and uses a sealed radioactive source of californium-252 to irradiate baggage items. The major impact of the use of this system arises from direct exposure of the public to scattered or leakage radiation from the source and to induced radioactivity in baggage items. Under normal operation and the most likely accident scenarios, the environmental impacts that would be created by the proposed licensing action would not be significant. 44 refs., 19 figs., 18 tabs.

  11. Chelation and stabilization of berkelium in oxidation state +IV

    Science.gov (United States)

    Deblonde, Gauthier J.-P.; Sturzbecher-Hoehne, Manuel; Rupert, Peter B.; An, Dahlia D.; Illy, Marie-Claire; Ralston, Corie Y.; Brabec, Jiri; de Jong, Wibe A.; Strong, Roland K.; Abergel, Rebecca J.

    2017-09-01

    Berkelium (Bk) has been predicted to be the only transplutonium element able to exhibit both +III and +IV oxidation states in solution, but evidence of a stable oxidized Bk chelate has so far remained elusive. Here we describe the stabilization of the heaviest 4+ ion of the periodic table, under mild aqueous conditions, using a siderophore derivative. The resulting Bk(IV) complex exhibits luminescence via sensitization through an intramolecular antenna effect. This neutral Bk(IV) coordination compound is not sequestered by the protein siderocalin—a mammalian metal transporter—in contrast to the negatively charged species obtained with neighbouring trivalent actinides americium, curium and californium (Cf). The corresponding Cf(III)-ligand-protein ternary adduct was characterized by X-ray diffraction analysis. Combined with theoretical predictions, these data add significant insight to the field of transplutonium chemistry, and may lead to innovative Bk separation and purification processes.

  12. The CARIBU EBIS control and synchronization system

    Science.gov (United States)

    Dickerson, Clayton; Peters, Christopher

    2015-01-01

    The Californium Rare Isotope Breeder Upgrade (CARIBU) Electron Beam Ion Source (EBIS) charge breeder has been built and tested. The bases of the CARIBU EBIS electrical system are four voltage platforms on which both DC and pulsed high voltage outputs are controlled. The high voltage output pulses are created with either a combination of a function generator and a high voltage amplifier, or two high voltage DC power supplies and a high voltage solid state switch. Proper synchronization of the pulsed voltages, fundamental to optimizing the charge breeding performance, is achieved with triggering from a digital delay pulse generator. The control system is based on National Instruments realtime controllers and LabVIEW software implementing Functional Global Variables (FGV) to store and access instrument parameters. Fiber optic converters enable network communication and triggering across the platforms.

  13. Off-line commissioning of EBIS and plans for its integration into ATLAS and CARIBU

    Energy Technology Data Exchange (ETDEWEB)

    Ostroumov, P. N., E-mail: ostroumov@anl.gov; Barcikowski, A.; Dickerson, C. A.; Mustapha, B.; Perry, A.; Sharamentov, S. I.; Vondrasek, R. C.; Zinkann, G. [Argonne National Laboratory, Argonne, Illinois 60439 (United States)

    2016-02-15

    An Electron Beam Ion Source Charge Breeder (EBIS-CB) has been developed at Argonne to breed radioactive beams from the CAlifornium Rare Isotope Breeder Upgrade (CARIBU) facility at Argonne Tandem Linac Accelerator System (ATLAS). The EBIS-CB will replace the existing ECR charge breeder to increase the intensity and significantly improve the purity of reaccelerated radioactive ion beams. The CARIBU EBIS-CB has been successfully commissioned offline with an external singly charged cesium ion source. The performance of the EBIS fully meets the specifications to breed rare isotope beams delivered from CARIBU. The EBIS is being relocated and integrated into ATLAS and CARIBU. A long electrostatic beam transport system including two 180° bends in the vertical plane has been designed. The commissioning of the EBIS and the beam transport system in their permanent location will start at the end of this year.

  14. Populations of selected microbial and fungal species growing on the surface of rape seeds following treatment with desiccants or plant growth regulators.

    Science.gov (United States)

    Frac, Magdalena; Jezierska-Tys, Stefania; Tys, Jerzy

    2010-01-01

    The aim of this study was to determine the effects of desiccants and plant growth regulators on selected microbial species affecting rape seeds, with special emphasis on the growth of fungi and identification of the genus and species composition. The experimental material in the study was seeds of winter rape cv. Californium that were collected from the field during combine harvest. The chemical agents applied, both desiccants and growth regulators, generally decreased the populations of bacteria occurring on the surface of rape seeds. The responses of fungi depended upon the type of agent applied and were manifested as either stimulation or inhibition of the growth of the fungal species. The fungi isolated from the surface of rape seeds were characteristic of those found in the field environment (Cladosporium and Penicillium) and typical for those present on the surface of rape seeds (Alternaria).

  15. Reliability of semiconductor and gas-filled diodes for over-voltage protection exposed to ionizing radiation

    Directory of Open Access Journals (Sweden)

    Stanković Koviljka

    2009-01-01

    Full Text Available The wide-spread use of semiconductor and gas-filled diodes for non-linear over-voltage protection results in a variety of possible working conditions. It is therefore essential to have a thorough insight into their reliability in exploitation environments which imply exposure to ionizing radiation. The aim of this paper is to investigate the influence of irradiation on over-voltage diode characteristics by exposing the diodes to californium-252 combined neutron/gamma radiation field. The irradiation of semiconductor over-voltage diodes causes severe degradation of their protection characteristics. On the other hand, gas-filled over-voltage diodes exhibit a temporal improvement of performance. The results are presented with the accompanying theoretical interpretations of the observed changes in over-voltage diode behaviour, based on the interaction of radiation with materials constituting the diodes.

  16. Triton and alpha-particle contribution from LiF converter for neutron dosimeter

    CERN Document Server

    Camacho, M E; Balcazar, M

    1999-01-01

    A personnel neutron dosimeter prototype based on chemical and electrochemical etched CR-39 detector, combined with LiF converter, has been calibrated using an ICRP-like phantom, under a heavy-water moderated Californium source neutron spectra; A conversion factor of 1.052+-126 spots cm sup - sup 2 mSv sup - sup 1 was obtained. The sealing properties of the detector holder showed a ten-fold reduction in radon background when it was tested in a high radon atmosphere. A convenient mechanical shock resistance was achieved in LiF converters by sintering to 11 tons pressure LiF powder at 650 deg. C, during one hour.

  17. Study of reproducibility of measurements with the spectrometer of Bonner multispheres

    Energy Technology Data Exchange (ETDEWEB)

    Azevedo, G.A.; Pereira, W.W.; Patrao, K.C.S.; Fonseca, E.S., E-mail: geisadeazevedo@gmail.com, E-mail: walsan@ird.gov.br, E-mail: karla@ird.gov.br, E-mail: evaldo@ird.gov.br [Instituto de Radionprotecao e Dosimetria (IRD/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2013-07-01

    This work aims to study the metrological behavior of the Bonner Multisphere Spectrometer (BMS) of the LN / LNMRI / IRD - Laboratorio Metrologia de Neutrons / Laboratorio Nacional de Metrologia e Radiacao Ionizante / Instituto de Radioprotecao e Dosimetria, for measurements in repeatability and reproducibility conditions. Initially, a simulation was done by applying the Monte Carlo method, using the MCNP code and respecting the ISO 8529-1 (2001), using the sources of Californium ({sup 252} Cf), Americium-Beryllium ({sup 241} AmBe) and californium in heavy water (Cf + D{sub 2}O), all located at a distance of 100 cm from the neutron detector ({sup 6}Li (Eu) - crystal scintillator). In this program, the counting of neutrons that are captured by the detector was made. The source is located in the center of a sphere of radius 300 cm. Analyzes the impact of these neutrons in a point of the sphere wall, which in this case acted as a neutron detector and from there, it is estimated the number of neutrons that collide in the whole sphere. The purpose is to obtain the neutron count for different energy bands in a solid field of neutrons, since they have a spectrum ranging from a low to a high energy that can also vary within a particular environment. Wishes to obtain new fields with different sources and moderators materials to be used as new reference fields. Measurements are being conducted for these fields, with the aim of analyzing the variability conditions of the measurement (repeatability and reproducibility) in LEN - Laboratorio de Espectrometria de Neutrons of the LN/LMNRI/IRD. Thus, the spectrometer will be used to improve both the knowledge of the spectrum as the standard of neutrons of the lab, proving that a spectrometry is essential for correct measurement.

  18. Biodegradation kinetics of selected brominated flame retardants in aerobic and anaerobic soil

    Energy Technology Data Exchange (ETDEWEB)

    Nyholm, Jenny Rattfelt, E-mail: jenny.rattfelt@chem.umu.s [Department of Chemistry, Umea University, SE-901 87 Umea (Sweden); Lundberg, Charlott; Andersson, Patrik L. [Department of Chemistry, Umea University, SE-901 87 Umea (Sweden)

    2010-06-15

    The purpose of the present study was to investigate the biodegradation kinetics in aerobic and anaerobic soil of the following brominated flame retardants: 2,4,4'-tribromodiphenyl ether (BDE 28), decabromodiphenyl ether (BDE 209), tetrabromobisphenol A (TBBPA), 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane (TBECH), 2,4,6-tribromophenol (246BrPh), and hexabromobenzene (HxBrBz). For comparison, the biodegradation of the chlorinated compounds 2,4,4'-trichlorodiphenyl ether (CDE 28), 2,4,6-trichlorophenol (246ClPh), hexachlorobenzene (HxClBz), and 2,2',4,4',5,5'-hexachlorobiphenyl (PCB 153) was also assessed. In aerobic soil, BDE 209 showed no significant degradation during the test period, but concentrations of the other BFRs declined, with half-lives decreasing in the following order: BDE 28 > TBBPA > TBECH > HxBrBz > 246BrPh. Declines in almost the same order were observed in anaerobic soil: BDE 28, BDE 209 > TBBPA > HxBrBz > TBECH >246BrPh. - Intra- and extrapolated half-lives in soil of tested brominated flame retardants ranged from 7 days for 2,4,6-tribromorophenol to >400 days for decabromodiphenyl ether.

  19. Characterization of an Argentine isolate of Bacillus thuringiensis similar to the HD-1 strain.

    Science.gov (United States)

    Sauka, Diego H; Basurto-Ríos, Regina E; Ibarra, Jorge E; Benintende, Graciela B

    2010-01-01

    We report the characterization of an Argentine isolate of Bacillus thuringiensis (INTA TA24-6) similar to the HD-1 strain, which harbors a cryptic cry2Ab gene that apparently is transcribed but not translated into a protein. INTA TA24-6 showed a Rep-PCR pattern identical to the HD-1 strain, a plasmid pattern that resembled that of this strain and cry1 and cry2 genes as HD-1. Screening of cry1 and cry2 genes showed that INTA TA24-6 harbors only cry1Ac and cry2Ab genes. Furthermore, crystalline inclusions of INTA TA24-6 exhibit a bipyramidal shape, typical of Lepidoptera-active B. thuringiensis strains, containing a major protein of ca. 130 kDa toxic to Epinotia aporema Wals. (Lepidoptera: Tortricidae) larvae. Neither the flat-square to cuboidal crystal nor a ca. 65 kDa protein typical of strains expressing Cry2 proteins were detected in INTA TA24-6. In agreement with this information, parasporal crystals of INTA TA24-6 did not show toxicity to Aedes aegypti L. (Diptera:Culicidae) larvae. Gene transcription analyses suggested that the cry2A gene might be cryptic in INTA TA24-6 despite its transcription at different sporulation stages.

  20. Use of Low-cost Adsorbents to Chlorophenols and Organic Matter Removal of Petrochemical Wastewater

    Directory of Open Access Journals (Sweden)

    Aretha Moreira de Oliveira

    2013-11-01

    Full Text Available The removal of 2,4 diclorophenol (2,4-DCF and 2,4,6 trichlorophenol (2,4,6 TCF present in  petrochemical wastewater was evaluated using low-cost adsorbents, such as chitin, chitosan and coconut shells. Batch studies showed that the absorption efficiency for 2,4 DCF and 2,4,6 TCF follow the order: chitosan > chitin > coconut shells. Langmuir and Freundlich models have been applied to experimental isotherms data, to better understand the adsorption mechanisms. Petrochemical wastewater treatment with fixed bed column system using chitinous adsorbents showed a removal of COD (75% , TOG (90% and turbidity (74-89%.