Science.gov

Sample records for 96-03 vol 1-3

  1. 46 CFR 96.03-1 - Installation and details.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems. Bilge... CONTROL AND MISCELLANEOUS SYSTEMS AND EQUIPMENT Marine Engineering Systems § 96.03-1 Installation and details. (a) The installation of all systems of a marine engineering nature, together with the details of...

  2. 46 CFR 96.03-1 - Installation and details.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems. Bilge... CONTROL AND MISCELLANEOUS SYSTEMS AND EQUIPMENT Marine Engineering Systems § 96.03-1 Installation and details. (a) The installation of all systems of a marine engineering nature, together with the details of...

  3. 46 CFR 96.03-1 - Installation and details.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems. Bilge... CONTROL AND MISCELLANEOUS SYSTEMS AND EQUIPMENT Marine Engineering Systems § 96.03-1 Installation and details. (a) The installation of all systems of a marine engineering nature, together with the details of...

  4. 46 CFR 96.03-1 - Installation and details.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... CONTROL AND MISCELLANEOUS SYSTEMS AND EQUIPMENT Marine Engineering Systems § 96.03-1 Installation and details. (a) The installation of all systems of a marine engineering nature, together with the details of... (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems. Bilge...

  5. 46 CFR 96.03-1 - Installation and details.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... CONTROL AND MISCELLANEOUS SYSTEMS AND EQUIPMENT Marine Engineering Systems § 96.03-1 Installation and details. (a) The installation of all systems of a marine engineering nature, together with the details of... (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems. Bilge...

  6. 1,3-Butadiene

    Integrated Risk Information System (IRIS)

    1,3 - Butadiene ; CASRN 106 - 99 - 0 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic E

  7. 1,3-Dichloropropene

    Integrated Risk Information System (IRIS)

    1,3 - Dichloropropene ( DCP ) ; CASRN 542 - 75 - 6 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Non

  8. 1,3-Dichlorobenzene

    Integrated Risk Information System (IRIS)

    1,3 - Dichlorobenzene ; CASRN 541 - 73 - 1 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinog

  9. Flying Qualities (Qualites de Vol)

    DTIC Science & Technology

    1991-02-01

    These new technologies have expanded flight envelopes, reduced drag, increased man(xuvrahility. provided the framework for practical gust alleviation...criteria haa in gcnccal not kept pace with these technological changes. The purpose of this Symposium was to review flying qualities issues today, and...de libertý et Li couplage intt~gral. Ces nouvelles technologies ont eu pour effet S’~argir Ie domaine de vol, de r~duire la trainee, d’accroitre Ia

  10. LBRIG Newsletter [Newsletter of the Language by Radio Interest Group]. Vol. 2, Nos. 1-3.

    ERIC Educational Resources Information Center

    Garfinkel, Alan, Ed.; And Others

    Volume 2 of the Language by Radio Interest Group (LBRIG) Newsletter consists of news items, short articles, general information, and opinions on the subject of language learning by radio. The first number in the volume contains the following feature articles: "Radio and Communicative Competence," by Kimball L. Robinson; "Shortwave Broadcast and…

  11. OATYC Journal, Vol. II, Nos. 1-3, October 1976-Spring 1977.

    ERIC Educational Resources Information Center

    Fullen, James, Ed.

    1977-01-01

    "OATYC Journal," which is published by the Ohio Association of Two-Year Colleges, is designed as a forum for the exchange of concepts, methods, and findings relevant to the two-year college classroom. Along with commentaries and letters of reaction from the readership, the three issues of volume II contain the following major articles:…

  12. OATYC Journal, Vol. II, Nos. 1-3, October 1976-Spring 1977.

    ERIC Educational Resources Information Center

    Fullen, James, Ed.

    1977-01-01

    "OATYC Journal," which is published by the Ohio Association of Two-Year Colleges, is designed as a forum for the exchange of concepts, methods, and findings relevant to the two-year college classroom. Along with commentaries and letters of reaction from the readership, the three issues of volume II contain the following major articles:…

  13. Per Linguam: A Journal of Language Learning, Vol. 1-3, 1985-1987.

    ERIC Educational Resources Information Center

    van der Vyver, D. H., Ed.

    1987-01-01

    Regular issues of "Per Linguam" appear twice a year. The document consists of the six regular issues for the years 1985, 1986, and 1987. These issues contain the following 32 articles: (1) "SALT in South Africa: Needs and Parameters" (van der Vyver); (2) "An Analysis of SALT in Practice" (Botha); (3) "SALT and…

  14. 1,3,5-Trinitrobenzene

    Integrated Risk Information System (IRIS)

    1,3,5 - Trinitrobenzene ; CASRN 99 - 35 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcino

  15. CIRF Publications, Vol. 12, No. 5.

    ERIC Educational Resources Information Center

    International Labour Office, Geneva (Switzerland).

    CIRF Publications, Vol. 12, No. 5 is a collection of 80 abstracts giving particular attention to education, training, and economic growth in developing countries, Iran, Japan, Kenya, the Solomon Islands, and Sri Lanka; vocational rehabilitation in Italy, Spain, the United Kingdom, and the U. S. A.; agriculture in Chad, developing countries, and…

  16. FL V1.3

    SciTech Connect

    Rothganger, Frederick

    2009-08-03

    A library of utility classes for computer vision. Contains implementations of various well-known image processing techniques, such as interest point operators and region descriptors. Includes interfaces to various libraries for image and video I/O, as well as an interface to LAPACK/BLAS. FL was developed at the University of Illinois, Urbana-Champaign (UIUC) and released under an open source license. Version 1.2 was a maintenance release provided by SNL under the LGPL license. Version 1.3 is a maintenance release, containing the following changes: - Improved image format handling. Now handles strided and planar memory layouts and a wider range of pixel formats. - Improved image file I/O, including better support for metadata, a wider range of stored pixel types, and a couple of new file formats. - Improvements to DOG and SIFT, and efficiency improvements in low-level convolution. - Improvements to networking, including a generic TCP listener. - Various improvements to numerical processing. The HISTORY file included in the distribution contains a more detailed description of the changes.

  17. A novel process for recycling and resynthesizing LiNi1/3Co1/3Mn1/3O2 from the cathode scraps intended for lithium-ion batteries.

    PubMed

    Zhang, Xihua; Xie, Yongbing; Cao, Hongbin; Nawaz, Faheem; Zhang, Yi

    2014-09-01

    To solve the recycling challenge for aqueous binder based lithium-ion batteries (LIBs), a novel process for recycling and resynthesizing LiNi1/3Co1/3Mn1/3O2 from the cathode scraps generated during manufacturing process is proposed in this study. Trifluoroacetic acid (TFA) is employed to separate the cathode material from the aluminum foil. The effects of TFA concentration, liquid/solid (L/S) ratio, reaction temperature and time on the separation efficiencies of the cathode material and aluminum foil are investigated systematically. The cathode material can be separated completely under the optimal experimental condition of 15vol.% TFA solution, L/S ratio of 8.0 mL g(-1), reacting at 40°C for 180 min along with appropriate agitation. LiNi1/3Co1/3Mn1/3O2 is successfully resynthesized from the separated cathode material by solid state reaction method. Several kinds of characterizations are performed to verify the typical properties of the resynthesized LiNi1/3Co1/3Mn1/3O2 powder. Electrochemical tests show that the initial charge and discharge capacities of the resynthesized LiNi1/3Co1/3Mn1/3O2 are 201 mAh g(-)(1) and 155.4 mAh g(-1) (2.8-4.5 V, 0.1C), respectively. The discharge capacity remains at 129 mAh g(-1) even after 30 cycles with a capacity retention ratio of 83.01%.

  18. El espectro de K2 Vol

    NASA Astrophysics Data System (ADS)

    Pintado, O. I.; Adelman, S. J.

    Se han obtenido espectros de alta dispersión para la estrella K2 Vol con el espectrógrafo REOSC del CASLEO en un rango de longitudes de ondas comprendido entre 3500 y 5050 Å. El espectro muestra evidencias de que la estrella es binaria. Se determinan las abundancias de los componentes químicos presentes en su atmósfera, como así también algunas características de su compañera.

  19. GLOBECOM '92 - IEEE Global Telecommunications Conference, Orlando, FL, Dec. 6-9, 1992, Conference Record. Vols. 1-3

    NASA Astrophysics Data System (ADS)

    Papers are presented on such topics as the wireless data network in PCS, advances in digital mobile networks, ATM switching experiments, broadband applications, network planning, and advances in SONET/SDH implementations. Consideration is also given to gigabit computer networks, techniques for modeling large high-speed networks, coding and modulation, the next-generation lightwave system, signaling systems for broadband ISDN, satellite technologies, and advances in standardization of low-rate signal processing.

  20. 1991 IEEE International Joint Conference on Neural Networks, Singapore, Nov. 18-21, 1991, Proceedings. Vols. 1-3

    SciTech Connect

    Not Available

    1991-01-01

    The present conference the application of neural networks to associative memories, neurorecognition, hybrid systems, supervised and unsupervised learning, image processing, neurophysiology, sensation and perception, electrical neurocomputers, optimization, robotics, machine vision, sensorimotor control systems, and neurodynamics. Attention is given to such topics as optimal associative mappings in recurrent networks, self-improving associative neural network models, fuzzy activation functions, adaptive pattern recognition with sparse associative networks, efficient question-answering in a hybrid system, the use of abstractions by neural networks, remote-sensing pattern classification, speech recognition with guided propagation, inverse-step competitive learning, and rotational quadratic function neural networks. Also discussed are electrical load forecasting, evolutionarily stable and unstable strategies, the capacity of recurrent networks, neural net vs control theory, perceptrons for image recognition, storage capacity of bidirectional associative memories, associative random optimization for control, automatic synthesis of digital neural architectures, self-learning robot vision, and the associative dynamics of chaotic neural networks.

  1. 50 CFR 1.3 - Service.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 50 Wildlife and Fisheries 1 2010-10-01 2010-10-01 false Service. 1.3 Section 1.3 Wildlife and Fisheries UNITED STATES FISH AND WILDLIFE SERVICE, DEPARTMENT OF THE INTERIOR GENERAL PROVISIONS DEFINITIONS § 1.3 Service. Service means the United States Fish and Wildlife Service, Department of the Interior....

  2. 45 CFR 1216.1-3 - Policy.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 4 2011-10-01 2011-10-01 false Policy. 1216.1-3 Section 1216.1-3 Public Welfare Regulations Relating to Public Welfare (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE NONDISPLACEMENT OF EMPLOYED WORKERS AND NONIMPAIRMENT OF CONTRACTS FOR SERVICE § 1216.1-3 Policy. (a) Volunteers enrolled or participating in...

  3. 45 CFR 1210.1-3 - Definitions.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 4 2011-10-01 2011-10-01 false Definitions. 1210.1-3 Section 1210.1-3 Public Welfare Regulations Relating to Public Welfare (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE VISTA TRAINEE DESELECTION AND VOLUNTEER EARLY TERMINATION PROCEDURES General § 1210.1-3 Definitions. (a) Trainee means a person enrolled in...

  4. 5 CFR 1.3 - Definitions.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 5 Administrative Personnel 1 2010-01-01 2010-01-01 false Definitions. 1.3 Section 1.3 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE RULES COVERAGE AND DEFINITIONS (RULE I) § 1.3 Definitions. As used in the rules in this subchapter: (a) Competitive service shall have the same...

  5. 45 CFR 1211.1-3 - Definitions.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 4 2012-10-01 2012-10-01 false Definitions. 1211.1-3 Section 1211.1-3 Public... VOLUNTEER GRIEVANCE PROCEDURES § 1211.1-3 Definitions. (a) Volunteer means a person enrolled and currently... volunteer is assigned to an area of harsh climate where special clothing is necessary and not already...

  6. 45 CFR 1211.1-3 - Definitions.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 4 2013-10-01 2013-10-01 false Definitions. 1211.1-3 Section 1211.1-3 Public... VOLUNTEER GRIEVANCE PROCEDURES § 1211.1-3 Definitions. (a) Volunteer means a person enrolled and currently... volunteer is assigned to an area of harsh climate where special clothing is necessary and not already...

  7. 45 CFR 1211.1-3 - Definitions.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 4 2014-10-01 2014-10-01 false Definitions. 1211.1-3 Section 1211.1-3 Public... VOLUNTEER GRIEVANCE PROCEDURES § 1211.1-3 Definitions. (a) Volunteer means a person enrolled and currently... volunteer is assigned to an area of harsh climate where special clothing is necessary and not already...

  8. 5 CFR 1.3 - Definitions.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 5 Administrative Personnel 1 2014-01-01 2014-01-01 false Definitions. 1.3 Section 1.3 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE RULES COVERAGE AND DEFINITIONS (RULE I) § 1.3 Definitions. As used in the rules in this subchapter: (a) Competitive service shall have the same...

  9. 43 CFR 8365.1-3 - Vehicles.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 43 Public Lands: Interior 2 2014-10-01 2014-10-01 false Vehicles. 8365.1-3 Section 8365.1-3 Public... OF THE INTERIOR RECREATION PROGRAMS VISITOR SERVICES Rules of Conduct § 8365.1-3 Vehicles. (a) When operating a vehicle on the public lands, no person shall exceed posted speed limits, willfully...

  10. 43 CFR 8365.1-3 - Vehicles.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false Vehicles. 8365.1-3 Section 8365.1-3 Public... OF THE INTERIOR RECREATION PROGRAMS VISITOR SERVICES Rules of Conduct § 8365.1-3 Vehicles. (a) When operating a vehicle on the public lands, no person shall exceed posted speed limits, willfully...

  11. 43 CFR 8365.1-3 - Vehicles.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 2 2012-10-01 2012-10-01 false Vehicles. 8365.1-3 Section 8365.1-3 Public... OF THE INTERIOR RECREATION PROGRAMS VISITOR SERVICES Rules of Conduct § 8365.1-3 Vehicles. (a) When operating a vehicle on the public lands, no person shall exceed posted speed limits, willfully...

  12. 43 CFR 8365.1-3 - Vehicles.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 2 2011-10-01 2011-10-01 false Vehicles. 8365.1-3 Section 8365.1-3 Public... OF THE INTERIOR RECREATION PROGRAMS VISITOR SERVICES Rules of Conduct § 8365.1-3 Vehicles. (a) When operating a vehicle on the public lands, no person shall exceed posted speed limits, willfully...

  13. A novel process for recycling and resynthesizing LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} from the cathode scraps intended for lithium-ion batteries

    SciTech Connect

    Zhang, Xihua; Xie, Yongbing; Cao, Hongbin; Nawaz, Faheem; Zhang, Yi

    2014-09-15

    Highlights: • A simple process to recycle cathode scraps intended for lithium-ion batteries. • Complete separation of the cathode material from the aluminum foil is achieved. • The recovered aluminum foil is highly pure. • LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} is directly resynthesized from the separated cathode material. - Abstract: To solve the recycling challenge for aqueous binder based lithium-ion batteries (LIBs), a novel process for recycling and resynthesizing LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} from the cathode scraps generated during manufacturing process is proposed in this study. Trifluoroacetic acid (TFA) is employed to separate the cathode material from the aluminum foil. The effects of TFA concentration, liquid/solid (L/S) ratio, reaction temperature and time on the separation efficiencies of the cathode material and aluminum foil are investigated systematically. The cathode material can be separated completely under the optimal experimental condition of 15 vol.% TFA solution, L/S ratio of 8.0 mL g{sup −1}, reacting at 40 °C for 180 min along with appropriate agitation. LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} is successfully resynthesized from the separated cathode material by solid state reaction method. Several kinds of characterizations are performed to verify the typical properties of the resynthesized LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} powder. Electrochemical tests show that the initial charge and discharge capacities of the resynthesized LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} are 201 mAh g{sup −1} and 155.4 mAh g{sup −1} (2.8–4.5 V, 0.1 C), respectively. The discharge capacity remains at 129 mAh g{sup −1} even after 30 cycles with a capacity retention ratio of 83.01%.

  14. Leaching process for recovering valuable metals from the LiNi1/3Co1/3Mn1/3O2 cathode of lithium-ion batteries.

    PubMed

    He, Li-Po; Sun, Shu-Ying; Song, Xing-Fu; Yu, Jian-Guo

    2017-03-18

    In view of the importance of environmental protection and resource recovery, recycling of spent lithium-ion batteries (LIBs) and electrode scraps generated during manufacturing processes is quite necessary. An environmentally sound leaching process for the recovery of Li, Ni, Co, and Mn from spent LiNi1/3Co1/3Mn1/3O2-based LIBs and cathode scraps was investigated in this study. Eh-pH diagrams were used to determine suitable leaching conditions. Operating variables affecting the leaching efficiencies for Li, Ni, Co, and Mn from LiNi1/3Co1/3Mn1/3O2, such as the H2SO4 concentration, temperature, H2O2 concentration, stirring speed, and pulp density, were investigated to determine the most efficient conditions for leaching. The leaching efficiencies for Li, Ni, Co, and Mn reached 99.7% under the optimized conditions of 1M H2SO4, 1vol% H2O2, 400rpm stirring speed, 40g/L pulp density, and 60min leaching time at 40°C. The leaching kinetics of LiNi1/3Co1/3Mn1/3O2 were found to be significantly faster than those of LiCoO2. Based on the variation in the weight fraction of the metal in the residue, the "cubic rate law" was revised as follows: θ(1-f)(1/3)=(1-kt/r0ρ), which could characterize the leaching kinetics optimally. The activation energies were determined to be 64.98, 65.16, 66.12, and 66.04kJ/mol for Li, Ni, Co, and Mn, respectively, indicating that the leaching process was controlled by the rate of surface chemical reactions. Finally, a simple process was proposed for the recovery of valuable metals from spent LiNi1/3Co1/3Mn1/3O2-based LIBs and cathode scraps.

  15. 36 CFR 1.3 - Penalties.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Penalties. 1.3 Section 1.3 Parks, Forests, and Public Property NATIONAL PARK SERVICE, DEPARTMENT OF THE INTERIOR GENERAL PROVISIONS... 1 through 7, 12 and 13 of this chapter, within a park area not covered in paragraphs (b) or (c) of...

  16. 21 CFR 1.3 - Definitions.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 1 2014-04-01 2014-04-01 false Definitions. 1.3 Section 1.3 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL GENERAL ENFORCEMENT... after shipment or delivery in interstate commerce. (b) Label means any display of written, printed,...

  17. Synthesis of 1,3,3-trinitroazetidine

    DOEpatents

    Hiskey, M.A.; Coburn, M.D.

    1994-08-09

    A process of preparing 1,3,3-trinitroazetidine includes forming a 5-hydroxymethyl-5-nitro-1-alkyltetrahydro-1,3-oxazine, e.g., reacting a 1,3,5-trialkyl hexahydrotriazine and tris(hydroxymethyl)nitromethane, ring opening said 5-hydroxymethyl-5-nitro-1-alkyltetrahydro-1,3-oxazine to form a 3-alkylamino-2-hydroxymethyl-2-nitro-1-propanol salt, ring closing said 3-alkylamino-2-hydroxymethyl-2-nitro-1-propanol salt to form a 3-hydroxymethyl-3-nitro-1-alkylazetidine salt, nitrating said 3-hydroxymethyl-3-nitro-1-alkylazetidine salt to form a 1-alkyl-3,3-dinitroazetidine, and converting said 1-alkyl-3,3-dinitroazetidine into 1,3,3-trinitroazetidine is disclosed. 1 fig.

  18. Synthesis of 1,3,3-trinitroazetidine

    DOEpatents

    Hiskey, Michael A.; Coburn, Michael D.

    1994-01-01

    A process of preparing 1,3,3-trinitroazetidine including forming a 5-hydroxymethyl-5-nitro-1-alkyltetrahydro-1,3-oxazine, e.g., reacting a 1,3,5-trialkyl hexahydrotriazine and tris(hydroxymethyl)nitromethane, ring opening said 5-hydroxymethyl-5-nitro-1-alkyltetrahydro-1,3-oxazine to form a 3-alkylamino-2-hydroxymethyl-2-nitro-1-propanol salt, ring closing said 3-alkylamino-2-hydroxymethyl-2-nitro-1-propanol salt to form a 3-hydroxymethyl-3-nitro-1-alkylazetidine salt, nitrating said 3-hydroxymethyl-3-nitro-1-alkylazetidine salt to form a 1-alkyl-3,3-dinitroazetidine, and converting said 1-alkyl-3,3-dinitroazetidine into 1,3,3-trinitroazetidine is disclosed.

  19. HANSF 1.3 user's manual

    SciTech Connect

    PLYS, M.G.

    1999-05-21

    The HANSF analysis tool is an integrated model considering phenomena inside a multi-canister overpack (MCO) spent nuclear fuel container such as fuel oxidation, convective and radiative heat transfer, and the potential for fission product release. It may be used for all phases of spent fuel disposition including cold vacuum drying, transportation, and storage. This manual reflects HANSF version 1.3, a revised version of version 1.2a. HANSF 1.3 was written to add new models for axial nodalization, add new features for ease of usage, and correct errors. HANSF 1.3 is intended for use on personal computers such as IBM-compatible machines with Intel processors running under a DOS-type operating system. HANSF 1.3 is known to compile under Lahey TI and Digital Visual FORTRAN, Version 6.0, but this does not preclude operation in other environments.

  20. 21 CFR 1.3 - Definitions.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... REGULATIONS General Provisions § 1.3 Definitions. (a) Labeling includes all written, printed, or graphic... graphic matter on the immediate container of any article, or any such matter affixed to any consumer...

  1. CMMI V1.3 Planned Improvements

    DTIC Science & Technology

    2016-06-07

    February 23, 2010 © 2010 Carnegie Mellon University Three Complementary Constellations CMMI-SVC CMMI-DEV CMMI-SVC provides guidance for those...appraising multiple constellations as well as a training approach for CMMI. 8 CMMI V1.3 February 23, 2010 © 2010 Carnegie Mellon University Schedule...limited to the following: • High Maturity • Appraisal efficiency • Consistency across constellations • Simplify the generic practices Version 1.3 is

  2. 1,3-Diferrocenyl-1,3-alkadienes in diene synthesis reactions

    SciTech Connect

    Pushin, A.N.; Klimova, E.I.; Sazanova, V.A.

    1987-11-10

    Stable 1,3-diferrocenyl-1,3-alkadienes, which form Diels-Alder adducts with N-substituted maleimides, have been prepared. Methyldiferrocenylbutadien participates in a cycloaddition reaction less readily than 1,3-diferrocenyl-1,3-butadiene. Adducts of 1,3-diferrocenyl-1,3-butadiene with N-substituted maleimides are dehydrogenated on Al/sub 2/O/sub 3/ or SiO/sub 2/ with subsequent formation of cyclohexadiene and benzene derivatives; protonation-deprotonation induces isomerization with transposition of the double bond.

  3. 1. Photocopy of delineation, American Architect and Building News, Vol ...

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

    1. Photocopy of delineation, American Architect and Building News, Vol VI, No. 146, (September 27, 1879). SHOWING FRONT ELEVATION AND FLOOR PLAN - G. B. P. Carpenter House, 100 Block of Polk Streets (Prospect Point), Burlington, Des Moines County, IA

  4. Photocopy of a photograph (original from Kansas City Spirit, Vol. ...

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

    Photocopy of a photograph (original from Kansas City Spirit, Vol. III, no. 5, April 1910) View to the west toward front arcade entrance - Scarritt Building & Arcade, Ninth Street & Grand Avenue, & 819 Walnut Street, Kansas City, Jackson County, MO

  5. Photocopy from Evan Leigh's Modern Cotton Spinning (Vol 2), Manchester, ...

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

    Photocopy from Evan Leigh's Modern Cotton Spinning (Vol 2), Manchester, 1873 (PL XXIX top); illustration of full milll, as enlarged to south. - Harmony Manufacturing Company, Mill Number 3, 100 North Mohawk Street, Cohoes, Albany County, NY

  6. Photocopy from Evan Leigh's Modern Cotton Spinning (Vol 1), Manchester, ...

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

    Photocopy from Evan Leigh's Modern Cotton Spinning (Vol 1), Manchester, 1873 (PL XXI); illustration of turbine and belt system. - Harmony Manufacturing Company, Mill Number 3, 100 North Mohawk Street, Cohoes, Albany County, NY

  7. Isothermal reduction kinetics of Panzhihua ilmenite concentrate under 30vol% CO-70vol% N2 atmosphere

    NASA Astrophysics Data System (ADS)

    Zhang, Ying-yi; Lü, Wei; Lü, Xue-wei; Li, Sheng-ping; Bai, Chen-guang; Song, Bing; Han, Ke-xi

    2017-03-01

    The reduction of ilmenite concentrate in 30vol% CO-70vol% N2 atmosphere was characterized by thermogravimetric and differential thermogravimetric (TG-DTG) analysis methods at temperatures from 1073 to 1223 K. The isothermal reduction results show that the reduction process comprised two stages; the corresponding apparent activation energy was obtained by the iso-conversional and model-fitting methods. For the first stage, the effect of temperature on the conversion degree was not obvious, the phase boundary chemical reaction was the controlling step, with an apparent activation energy of 15.55-40.71 kJ·mol-1. For the second stage, when the temperatures was greater than 1123 K, the reaction rate and the conversion degree increased sharply with increasing temperature, and random nucleation and subsequent growth were the controlling steps, with an apparent activation energy ranging from 182.33 to 195.95 kJ·mol-1. For the whole reduction process, the average activation energy and pre-exponential factor were 98.94-118.33 kJ·mol-1 and 1.820-1.816 min-1, respectively.

  8. Microbial production of 1,3-propanediol.

    PubMed

    Sauer, Michael; Marx, Hans; Mattanovich, Diethard

    2008-01-01

    The introduction of economic production processes for 1,3-propanediol is a success story for the creation of a new market for a (bulk) chemical. The compound and its favorable properties have long been known; also the fermentation of glycerol to 1,3-propanediol had been described more than 120 years ago. Nevertheless, the product remained a specialty chemical until recently, when two new processes were introduced, providing 1,3-propanediol at a competitive price. Remarkably, one of the processes is in the field of white biotechnology and based on microbial fermentation, converting a renewable carbon source into a bulk chemical. This review covers the most important patents that led to the commercialization of bio-based 1,3-propanediol. Furthermore, some of the recent developments towards a sustainable industry are addressed. Similar questions arise for a variety of products if they are to be produced bio-based in large scale. However, special emphasis is given to 1,3-propanediol production.

  9. Carcinogenicity of 1,3-butadiene.

    PubMed Central

    Melnick, R L; Shackelford, C C; Huff, J

    1993-01-01

    1,3-Butadiene, a high-production volume chemical used largely in the manufacture of synthetic rubber, is a multiple organ carcinogen in rats and mice. In inhalation studies conducted in mice by the National Toxicology Program, high rates of early lethal lymphomas occurring at exposure levels of 625 ppm or higher reduced the development and expression of later developing tumors at other sites. Use of survival-adjusted tumor rates to account for competing risk factors provided a clearer indication of the dose responses for 1,3-butadiene-induced neoplasms. An increase in lung tumors in female mice was observed at exposure concentrations as low as 6.25 ppm, the lowest concentration ever used in a long-term carcinogenicity study of this gas. Human exposures to 1,3-butadiene by workers employed at facilities that produce this chemical and at facilities that produce styrene-butadiene rubber have been measured at levels higher than those that cause cancer in animals. Furthermore, epidemiology studies have consistently revealed associations between occupational exposure to 1,3-butadiene and excess mortality due to lymphatic and hematopoietic cancers. In response to the carcinogenicity findings for 1,3-butadiene in animals and in humans, the Occupational Safety and Health Administration has proposed lowering the occupational exposure standard for this chemical from 1000 ppm to 2 ppm. Future work is needed to understand the mechanisms of tumor induction by 1,3-butadiene; however, the pursuit of this research should not delay the reduction of human exposure to this chemical. PMID:8354171

  10. Concertedness of 1,3-Dipolar Cycloadditions.

    ERIC Educational Resources Information Center

    Haque, M. Serajul

    1984-01-01

    There are two conflicting views about the mechanism of 1,3-dipolar cycloadditions to multibonds. To reconcile these viewpoints a concerted, spin-paired, diradical mechanism, based on valence bond theory, is proposed. Each of these three mechanisms is discussed. (JN)

  11. A Dogrib History. Grade 1-3.

    ERIC Educational Resources Information Center

    Fraser, Tara

    A publication on the history and traditional lifestyle of the Dogrib Tribe of Canada's Northwest Territories is intended for use in grades 1-3. Text is printed in large, clear letters and accompanied by many drawings. Some subjects covered are cooking, food, canoes, clothes, homes, and games. Sections are devoted to beavers and caribou and their…

  12. A Dogrib History. Grade 1-3.

    ERIC Educational Resources Information Center

    Fraser, Tara

    A publication on the history and traditional lifestyle of the Dogrib Tribe of Canada's Northwest Territories is intended for use in grades 1-3. Text is printed in large, clear letters and accompanied by many drawings. Some subjects covered are cooking, food, canoes, clothes, homes, and games. Sections are devoted to beavers and caribou and their…

  13. 4-ferrocenyl-1,3-pentadiene.

    NASA Technical Reports Server (NTRS)

    Lewis, D. H.; Neal, M. C.; Ponder, B. W.

    1972-01-01

    A convenient route is reported to a synthesis of 4-ferrocenyl-1,3-pentadiene which makes use of the well known Wittig (1954) reaction. The starting materials, acetylferrocene and allyltriphenylphosphonium bromide, are readily available, and the experimental conditions have been optimized so as to allow the synthesis to be carried out on a molar scale without the occurrence of extensive polymerization.

  14. Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)

    Integrated Risk Information System (IRIS)

    Hexahydro - 1,3,5 - trinitro - 1,3,5 - triazine ( RDX ) ; CASRN 121 - 82 - 4 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health

  15. Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)

    Integrated Risk Information System (IRIS)

    Octahydro - 1,3,5,7 - tetranitro - 1,3,5,7 - tetr . . . ( HMX ) ; CASRN 2691 - 41 - 0 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I

  16. Biodegradation of hexahydro-1,3,5-trinitro-1,3,5-triazine

    SciTech Connect

    McCormick, N.G.; Cornell, J.H.; Kaplan, A.M.

    1981-11-01

    Biodegradation of the explosive hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) occurs under anaerobic conditions, yielding a number of products, including: hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine, hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine, hexahydro-1,3,5-trinitroso-1,3,5-triazine, hydrazine, 1,1-dimethylhydrazine, 1,2-dimethylhydrazine, formaldehyde, and methanol. A scheme for the biodegradation of RDX is poposed which proceeds via successive reduction of the nitro groups to a point where destabilization and fragmentation of the ring occurs. The noncyclic degradation products arise via subsequent reduction and rearrangement reactions of the fragments. The scheme suggests the presence of several additional compounds, not yet identified. Several of the products are mutagenic or carcinogenic or both. Anaerobic treatment of RDX wastewaters, which also contain high nitrate levels, would permit the denitrification to occur, with concurrent degradation of RDX ultimately to a mixture of hydrazines and methanol. The feasibility of using an aerobic mode in the further degradation of these products is discussed.

  17. Biodegradation of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine

    PubMed Central

    McCormick, N. G.; Cornell, J. H.; Kaplan, A. M.

    1981-01-01

    Biodegradation of the explosive hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) occurs under anaerobic conditions, yielding a number of products, including: hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine, hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine, hexahydro-1,3,5-trinitroso-1,3,5-triazine, hydrazine, 1,1-dimethyl-hydrazine, 1,2-dimethylhydrazine, formaldehyde, and methanol. A scheme for the biodegradation of RDX is proposed which proceeds via successive reduction of the nitro groups to a point where destabilization and fragmentation of the ring occurs. The noncyclic degradation products arise via subsequent reduction and rearrangement reactions of the fragments. The scheme suggests the presence of several additional compounds, not yet identified. Several of the products are mutagenic or carcinogenic or both. Anaerobic treatment of RDX wastewaters, which also contain high nitrate levels, would permit the denitrification to occur, with concurrent degradation of RDX ultimately to a mixture of hydrazines and methanol. The feasibility of using an aerobic mode in the further degradation of these products is discussed. PMID:16345884

  18. Technical comparison between Hythane, GNG and gasoline fueled vehicles. [Hythane = 85 vol% natural gas, 15 vol% H[sub 2

    SciTech Connect

    Not Available

    1992-05-01

    This interim report documents progress on this 2-year Alternative Fuel project, scheduled to end early 1993. Hythane is 85 vol% compressed natural gas (CNG) and 15 vol% hydrogen; it has the potential to meet or exceed the California Ultra-Low Emission Vehicle (ULEV) standard. Three USA trucks (3/4 ton pickup) were operated on single fuel (unleaded gasoline, CNG, Hythane) in Denver. The report includes emission testing, fueling facility, hazard and operability study, and a framework for a national hythane strategy.

  19. Photocopy from Evan Leigh's Modern Cotton Spinning (Vol 1), Manchester, ...

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

    Photocopy from Evan Leigh's Modern Cotton Spinning (Vol 1), Manchester, 1873 (PL XX); illustration used by eminent British textile engineer to exemplify the ultimate development in American cotton mill technology. - Harmony Manufacturing Company, Mill Number 3, 100 North Mohawk Street, Cohoes, Albany County, NY

  20. 13. Photocopy of engraving from History of Westchester County, Vol. ...

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

    13. Photocopy of engraving from History of Westchester County, Vol. 2, by J. Thomas Scharf, published by L.E. Preston & Company, Philadelphia, 1886 ALEXANDER SMITH AND SONS CARPET COMPANY, MOQUETTE MILLS, WEAVING MILLS, SPINNING AND PRINT MILLS - Moquette Row Housing, Moquette Row North & Moquette Row South, Yonkers, Westchester County, NY

  1. 14. Photocopy of engraving from History of Westchester County, Vol. ...

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

    14. Photocopy of engraving from History of Westchester County, Vol. 2, by L.E. Preston & Company, Philadelphia, 1886 ALEXANDER SMITH AND SONS CARPET COMPANY, DETAIL, SPINNING AND PRINT MILLS, - Moquette Row Housing, Moquette Row North & Moquette Row South, Yonkers, Westchester County, NY

  2. 3. Photocopy form Western Architect, Vol, 19, No. 8, August ...

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

    3. Photocopy form Western Architect, Vol, 19, No. 8, August 1913, following page 80. 'TOWN AND COMMUNITY PLANNING, WALTER BURLEY GRIFFEN.' ORIGINAL PRESENTATION DRAWING AT NORTHWESTERN UNIVERSITY, ART DEPARTMENT. - Joshua G. Melson House, 56 River Heights Drive, Mason City, Cerro Gordo County, IA

  3. Intramolecular Diels–Alder/1,3-Dipolar Cycloaddition Cascade of 1,3,4-Oxadiazoles

    PubMed Central

    Elliott, Gregory I.; Fuchs, James R.; Blagg, Brian S. J.; Ishikawa, Hayato; Tao, Houchao; Yuan, Z.-Q.; Boger, Dale L.

    2008-01-01

    Full details of a systematic exploration of the intramolecular [4+2]/[3+2] cycloaddition cascade of 1,3,4-oxadiazoles are disclosed in which the scope and utility of the reaction are defined. PMID:16895427

  4. CMMI(Registered) for Acquisition, Version 1.3. CMMI-ACQ, V1.3

    DTIC Science & Technology

    2010-11-01

    So Norimatsu, Norimatsu Process Engineering Lab, Inc. Mary Lynn Penn, Lockheed Martin Corporation David (Mike) Phillips , Software Engineering...CMMI ® for Acquisition, Version 1.3 CMMI-ACQ, V1.3 CMMI Product Team Improving processes for acquiring better products and services...November 2010 TECHNICAL REPORT CMU/SEI-2010-TR-032 ESC-TR-2010-032 Software Engineering Process Management Program Unlimited distribution

  5. Silyl- and disilanyl-1,3-butadiyne polymers from hexachloro-1,3-butadiene

    DOEpatents

    Barton, T.J.; Ijadi-Maghsoodi, S.

    1990-10-23

    Organosilane polymers having recurring silylene-1,3-butadiyne and/or disilylene-1,3-butadiyne units are prepared in a one-pot synthesis from hexachlorobutadiene. Depending on the organic substituents (R and R[prime]), these polymers have useful film-forming properties, and are converted to the ceramic, silicon carbide upon heating a very uniform high char yields. They can also be pulled into fibers. The polymers are thermally crosslinked above 100 C.

  6. Silyl- and disilanyl-1,3-butadiyne polymers from hexachloro-1,3-butadiene

    DOEpatents

    Barton, Thomas J.; Ijadi-Maghsoodi, Sina

    1990-10-23

    Organosilane polymers having recurring silylene-1,3-butadiyne and/or disilylene-1,3-butadiyne units are prepared in a one-pot synthesis from hexachlorobutadiene. Depending on the organic substituents (R and R'), these polymers have useful film-forming properties, and are converted to the ceramic, silicon carbide upon heating a very uniform high char yields. They can also be pulled into fibers. The polymers are thermally crosslinked above 100.degree. C.

  7. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5 ...

    EPA Pesticide Factsheets

    EPA is developing an Integrated Risk Information System (IRIS) assessment of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and has released the draft assessment for public comment. When final, the assessment will appear on the IRIS database. EPA is undertaking an update of the Integrated Risk Information System (IRIS) health assessment for RDX. The outcome of this project is an updated Toxicological Review and IRIS Summary for RDX that will be entered into the IRIS database.

  8. Fabrication and characterization of titanium-matrix composite with 20 vol% hydroxyapatite for use as heavy load-bearing hard tissue replacement.

    PubMed

    Chu, Chenglin; Xue, Xiaoyan; Zhu, Jingchuan; Yin, Zhongda

    2006-03-01

    Titanium-matrix composite with 20 vol% HA ceramic was fabricated by hot pressing technique and the microstructure of the composite was studied by transmission electron microscope (TEM). The mechanical and biological properties of the composite were investigated by mechanical and in vivo studies. The experimental results by TEM observation show the bonding state of Ti/HA interface in Ti-20 vol% HA composite with the relative density of 97.86% is good, however, there exists an interfacial transition zone between Ti and HA. In Ti matrix of the composite and pure Ti metal, an interesting substructure comprised of screw dislocations with Burgers vectors b of 1/3 < 11 20> was found. Screw dislocations are straight and regularly distributed, and cross slip can be observed. The subgrain boundaries consist of dislocation network walls with equidistant dislocation lines in the same direction. Elastic modulus and Vicker's hardness of Ti-20 vol%HA composite are 102.6 GPa and 3.41 GPa respectively. Owing to the existence of 20 vol% HA ceramic, bending strength and fracture toughness of the composite decrease sharply to 170.1 MPa and 3.57 MPa.m(1/2) respectively, which are only about 17.5 and 12% of those of pure Ti metal. In vivo studies indicate Ti-20 vol% HA composite has good biocompatibility, and even better osteointegration ability than pure titanium, especially in the early stage after the implantation. In conclusion, Ti-20 vol% HA composite is suitable for heavy load-bearing hard tissue replacement from the point of view of both mechanical properties and biocompatibility.

  9. Hysteretic Behavior of Proprotein Convertase 1/3 (PC1/3)

    PubMed Central

    Icimoto, Marcelo Y.; Barros, Nilana M.; Ferreira, Juliana C.; Marcondes, Marcelo F.; Andrade, Douglas; Machado, Mauricio F.; Juliano, Maria A.; Júdice, Wagner A.; Juliano, Luiz; Oliveira, Vitor

    2011-01-01

    The proprotein convertases (PCs) are calcium-dependent proteases responsible for processing precursor proteins into their active forms in eukariotes. The PC1/3 is a pivotal enzyme of this family that participates in the proteolytic maturation of prohormones and neuropeptides inside the regulated secretory pathway. In this paper we demonstrate that mouse proprotein convertase 1/3 (mPC1/3) has a lag phase of activation by substrates that can be interpreted as a hysteretic behavior of the enzyme for their hydrolysis. This is an unprecedented observation in peptidases, but is frequent in regulatory enzymes with physiological relevance. The lag phase of mPC1/3 is dependent on substrate, calcium concentration and pH. This hysteretic behavior may have implications in the physiological processes in which PC1/3 participates and could be considered an additional control step in the peptide hormone maturation processes as for instance in the transformation of proinsulin to insulin. PMID:21935423

  10. Seven pass Cadherins CELSR1-3.

    PubMed

    Goffinet, Andre M; Tissir, Fadel

    2017-09-01

    Cadherin EGF LAG seven-pass G-type receptors 1, 2 and 3 (CELSR1-3) form a family of three atypical cadherins with multiple functions in epithelia and in the nervous system. During the past decade, evidence has accumulated for a key role of CELSR1 in epithelial planar cell polarity (PCP), and for CELSR2 and CELSR3 in ciliogenesis and neural development, especially neuron migration and axon guidance in the central, peripheral and enteric nervous systems. Phenotypes in mutant mice indicate that CELSR proteins work in concert with FZD3 and FZD6, but several questions remain. Apart from PCP signaling pathways implicating CELSR1 that begin to be unraveled, little is known about other signals generated by CELSR2 and CELSR3. A crucial question concerns the putative ligands that trigger signaling, in particular what is the role of WNT factors. Another critical issue is the identification of novel intracellular pathways and effectors that relay and transmit signals in receptive cells? Answers to those questions should further our understanding of the role of those important molecules not only in development but also in regeneration and disease. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5 ...

    EPA Pesticide Factsheets

    The IRIS Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) was released for external peer review in September 2016. The EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis supporting the RDX assessment and release a final report of their review. Information regarding the peer review can be found on the SAB website. EPA is undertaking an update of the Integrated Risk Information System (IRIS) health assessment for RDX. The outcome of this project is an updated Toxicological Review and IRIS Summary for RDX that will be entered into the IRIS database.

  12. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5 ...

    EPA Pesticide Factsheets

    The IRIS Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) was released for external peer review in September 2016. The EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis supporting the RDX assessment and release a final report of their review. Information regarding the peer review can be found on the SAB website. EPA is undertaking an update of the Integrated Risk Information System (IRIS) health assessment for RDX. The outcome of this project is an updated Toxicological Review and IRIS Summary for RDX that will be entered into the IRIS database.

  13. Spin freezing phenomenon and transport properties in La 1/3Nd 1/3Ba 1/3MnO 3

    NASA Astrophysics Data System (ADS)

    Li, Guoqing; Xianyu, Ze; Kim, Chong-Oh; Kim, Hyo-Jin; Lee, Young-Woo

    2002-02-01

    The magnetic and transport properties of La 1/3Nd 1/3Ba 1/3MnO 3 with the colossal magnetoresistant (CMR) effect were studied by using SQUID. The irreversible curve for magnetizing intensity vs. temperature in an applied magnetic field of 13 Oe indicates that the spins of electrons are frozen, and therefore spin-glass state is probably formed below the Curie temperature. This fact implied that La 1/3Nd 1/3Ba 1/3MnO 3 is mictomagnetic, that is, ferromagnetism and antiferromagnetism co-exist in this kind of material.

  14. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5 ...

    EPA Pesticide Factsheets

    On March 10, 2016, the public comment draft Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine and the draft charge to external peer reviewers were released for public review and comment. The Toxicological Review and charge were reviewed internally by EPA and by other federal agencies and White House Offices before public release. Consistent with the May 2009 IRIS assessment development process, all written comments on IRIS assessments submitted by other federal agencies and White House Offices are made publicly available. Accordingly, interagency comments and the interagency science consultation materials provided to other agencies, including interagency review drafts of the IRIS Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine and the charge to external peer reviewers, are posted on this site. EPA is undertaking an update of the Integrated Risk Information System (IRIS) health assessment for RDX. The outcome of this project is an updated Toxicological Review and IRIS Summary for RDX that will be entered into the IRIS database.

  15. [Reliability of % vol. declarations on labels of wine bottles].

    PubMed

    Schütz, Harald; Erdmann, Freidoon; Verhoff, Marcel A; Weiler, Günter

    2005-01-01

    The Council Regulation (EC) no. 1493/1999 of 17 May 1999 on the common organisation of the market in wine (Abl. L 179 dated 14/7/1999) and the GMO Wine 2000 (Annex VII A) stipulates that the labels of wine bottles have to indicate, among others, information on the sales designation of the product, the nominal volume and the alcoholic strength. The latter must not differ by more than 0.5% vol. from the alcoholic strength as established by analysis. Only when quality wines are stored in bottles for more than three years, the accepted tolerance limits are +/- 0.8% vol. The presented investigation results show that deviations have to be taken into account which may be highly relevant for forensic practice.

  16. Characterization of the Vibrio cholerae VolA Surface-Exposed Lipoprotein Lysophospholipase

    PubMed Central

    Pride, Aaron C.; Guan, Ziqiang

    2014-01-01

    Bacterial lipases play important roles in bacterial metabolism and environmental response. Our laboratory recently discovered that a novel lipoprotein lysophospholipase, VolA, localizes on the surface of the Gram-negative aquatic pathogen Vibrio cholerae. VolA functions to cleave exogenous lysophosphatidylcholine, freeing the fatty acid moiety for use by V. cholerae. This fatty acid is transported into the cell and can be used as a nutrient and, more importantly, as a way to alter the membrane architecture via incorporation into the phospholipid biosynthesis pathway. There are few examples of Gram-negative, surface-exposed lipoproteins, and VolA is unique, as it has a previously undercharacterized function in V. cholerae membrane remodeling. Herein, we report the biochemical characterization of VolA. We show that VolA is a canonical lipoprotein via mass spectrometry analysis and demonstrate the in vitro activity of VolA under a variety of conditions. Additionally, we show that VolA contains a conserved Gly-Xaa-Ser-Xaa-Gly motif typical of lipases. Interestingly, we report the observation of VolA homologs in other aquatic pathogens. An Aeromonas hydrophila VolA homolog complements a V. cholerae VolA mutant in growth on lysophosphatidylcholine as the sole carbon source and in enzymatic assays. These results support the idea that the lipase activity of surface-exposed VolA likely contributes to the success of V. cholerae, improving the overall adaptation and survival of the organism in different environments. PMID:24532770

  17. Biodegradation of 1,3,5-trinitro-1,3,5-triazine (RDX).

    PubMed

    Lee, Sheng-Yih; Brodman, Bruce W

    2004-01-01

    Two bacteria were isolated from 1,3,5-trinitro-1,3,5-triazine (RDX) contaminated soil at Picatinny Arsenal, New Jersey. These organisms were subsequently identified as Rhiziobium rhizogenes BL and Burkholderia sp.BL by the Deutsche Sammlung von Mikroorganismen und Zellkulturen GmbH (DSMZ, German Collection of Microorganisms and Cell Cultures). In addition a fungus, identified as Cladosporium cladosporioides by DSMZ, was found to be growing on water wet RDX. All of these organisms were found to degrade RDX. The two bacteria were found to represent new species that have not been reported before. It was found that these organisms along with an added carbon source could degrade RDX to simple gaseous products. Data are presented that elucidate the mechanisms of RDX biodegradation for these organisms.

  18. Bis(1,3-dimethyl-1,3-diazinan-2-one)dinitratodioxidouranium(VI)

    PubMed Central

    Suzuki, Tomoya; Kawasaki, Takeshi; Ikeda, Yasuhisa

    2011-01-01

    The title compound, [U(NO3)2O2(C6H12N2O)2], exhibits a hexa­gonal–bipyramidal geometry around the UVI ion, which is situated on an inversion centre and coordinated by two oxide ligands in the axial positions, and four O atoms from two bidentate NO3 − and two O atoms from two 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands in the equatorial plane. These ligands are located in trans positions. The –(CH2)3– moiety in the DMPU ligand is disordered over two positions in a 0.786 (11):0.214 (11) ratio. PMID:21522544

  19. Synthesis of planar chiral ferrocenyl 1,3-diamines and 1,3-amino ethers.

    PubMed

    Anderson, James C; Blake, Alexander J; Arnall-Culliford, Jennifer C

    2003-10-21

    The efficient syntheses of novel planar chiral 1,3-diamines and 1,3-amino ethers with an oxy or amino function directly bound to the cyclopentadienyl ring of ferrocene has been developed. The key reaction is the Cu2O promoted substitution of (pR)-N,N-diisopropyl-2-iodoferrocenecarboxamide with either phthalimide or AcOH to introduce nitrogen or oxygen functionality onto the cyclopentadienyl ring. The enantiomerically pure iodoferrocene derivative is available from the known enantioselective ortho-lithiation of N,N-diisopropylferrocenecarboxamide with n-BuLi-sparteine. In the course of these studies the synthesis of a novel C2 symmetric C-2 dimer of N,N-dimethyl-1-ferrocenylethylamine was characterised by single crystal X-ray diffraction.

  20. Structural and thermal stabilities of layered Li(Ni 1/3Co 1/3Mn 1/3)O 2 materials in 18650 high power batteries

    NASA Astrophysics Data System (ADS)

    He, Yan-Bing; Ning, Feng; Yang, Quan-Hong; Song, Quan-Sheng; Li, Baohua; Su, Fangyuan; Du, Hongda; Tang, Zhi-Yuan; Kang, Feiyu

    The structural and thermal stabilities of the layered Li(Ni 1/3Co 1/3Mn 1/3)O 2 cathode materials under high rate cycling and abusive conditions are investigated using the commercial 18650 Li(Ni 1/3Co 1/3Mn 1/3)O 2/graphite high power batteries. The Li(Ni 1/3Co 1/3Mn 1/3)O 2 materials maintain their layered structure even when the power batteries are subjected to 200 cycles with 10 C discharge rate at temperatures of 25 and 50 °C, whereas their microstructure undergoes obvious distortion, which leads to the relatively poor cycling performance of power batteries at high charge/discharge rates and working temperature. Under abusive conditions, the increase in the battery temperature during overcharge is attributed to both the reactions of electrolyte solvents with overcharged graphite anode and Li(Ni 1/3Co 1/3Mn 1/3)O 2 cathode and the Joule heat that results from the great increase in the total resistance (R cell) of batteries. The reactions of fully charged Li(Ni 1/3Co 1/3Mn 1/3)O 2 cathodes and graphite anodes with electrolyte cannot be activated during short current test in the fully charged batteries. However, these reactions occur at around 140 °C in the fully charged batteries during oven test, which is much lower than the temperature of about 240 °C required for the reactions outside batteries.

  1. Solution Properties of 1,3-Cyclohexadiene Polymers by Small Angle Neutron and Light Scattering

    SciTech Connect

    Yun, Seok I; Melnichenko, Yuri B; Wignall, George D; Hong, Kunlun; Mays, Jimmy; Britt, Phillip F; Terao, Ken; Nakamura, Yo

    2006-01-01

    1,3-Cyclohexdiene polymers (PCHD) and their derivatives are of interest due to the six-member rings in the main chain, which are expected to impart higher mechanical strength and better thermal and chemical stability, as compared to common vinyl polymers. For example, hydrogenated PCHD has the highest glass transition temperature (T{sub g} {approx} 231 C) of all hydrocarbon polymers, and it also shows good heat, weather, impact, abrasion, and chemical resistance as well as low water absorption. In addition, PCHD has unique photochemical properties, such as excellent transparency, due to the isolated double bonds in the main chain. Also, block copolymers containing PCHD show unusual phase separation behavior. For example, a styrene/1,3-CHD block copolymer (PS-b-PCHD) with 50 vol % CHD (1,4/1,2 {approx} 95/5) exhibits a core-shell or hollow cylinder morphology, while a typical styrene/acyclic diene (isoprene or butadiene) block copolymer with similar composition exhibits a lamellar structure. Such phase behavior and many other properties strongly depend on the conformation of the polymer in solution or bulk. However, almost no data have been reported on the conformation of PCHD, probably because of the lack of well-defined and well-characterized samples. Here we report solution properties of PCHD in tetrahydrofuran (THF) and chloroform by multiangle laser light scattering, viscometry, and small-angle neutron scattering (SANS).

  2. Preparation, characterization of LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} film cathode.

    SciTech Connect

    Kang, S. H.; Abraham, D. P.; Chemical Engineering

    2006-01-01

    Positive electrodes based on the LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} material are being evaluated in high-power lithium-ion cells for hybrid-electric vehicle applications. To determine performance degradation mechanisms that are associated with the active material, we prepared carbon- and binder-free LiNi{sub 1/3}Mn{sub 1/3}Co{sub 1/3}O{sub 2} film cathode on a Pt substrate using a sol-gel spin coating technique. The material was characterized by X-ray diffraction, scanning electron microscopy, and X-ray photoelectron spectroscopy. Initial data from cyclic voltammetry, galvanostatic cycling, and electrochemical impedance spectroscopy measurements conducted on the electrodes are reported.

  3. Water quality criteria for hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)

    SciTech Connect

    Etnier, E.L.

    1989-04-01

    The occurrence of the munitions compound hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in groundwater surrounding Army ammunition plants may result in contamination of local drinking water supplies. RDX exerts its primary toxic effect in humans on the central nervous system, but also involves gastrointestinal and renal effects. Symptomatic effects following acute exposure include hyperirritability, nausea, vomiting, generalized epileptiform seizures, and prolonged postictal confusion and amnesia. Health effects data were analyzed for RDX, and although no controlled human studies exist concerning the acute or chronic toxic effects of exposure to RDX, sufficient animal toxicity data are available to derive an ambient water quality criterion for the protection of human health. This paper summarizes the available literature on metabolism of RDX and human and animal toxicity. Based on noncarcinogenic mammalian toxicity data, and following the methodologies of the U.S. Environmental Protection Agency, an ambient water quality criterion for the protection of human health of 103 micrograms/liter is proposed for ingestion of drinking water and aquatic foodstuffs. A criterion of 105 micrograms/liter is proposed for ingestion of drinking water alone.54 references.

  4. Water quality criteria for hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX).

    PubMed

    Etnier, E L

    1989-04-01

    The occurrence of the munitions compound hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in groundwater surrounding Army ammunition plants may result in contamination of local drinking water supplies. RDX exerts its primary toxic effect in humans on the central nervous system, but also involves gastrointestinal and renal effects. Symptomatic effects following acute exposure include hyperirritability, nausea, vomiting, generalized epileptiform seizures, and prolonged postictal confusion and amnesia. Health effects data were analyzed for RDX, and although no controlled human studies exist concerning the acute or chronic toxic effects of exposure to RDX, sufficient animal toxicity data are available to derive an ambient water quality criterion for the protection of human health. This paper summarizes the available literature on metabolism of RDX and human and animal toxicity. Based on noncarcinogenic mammalian toxicity data, and following the methodologies of the U.S. Environmental Protection Agency, an ambient water quality criterion for the protection of human health of 103 micrograms/liter is proposed for ingestion of drinking water and aquatic foodstuffs. A criterion of 105 micrograms/liter is proposed for ingestion of drinking water alone.

  5. Electrochemical characteristics of layered LiNi 1/3Co 1/3Mn 1/3O 2 and with different synthesis conditions

    NASA Astrophysics Data System (ADS)

    He, Ping; Wang, Haoran; Qi, Lu; Osaka, Tetsuya

    LiNi 1/3Mn 1/3Co 1/3O 2 had been successfully prepared from spherical composite carbonate via a simple uniform-phase precipitation method [P. He, H. Wang, L. Qi, T. Osaka, J. Power Sources, in press] at normal pressure, using nickel, cobalt and manganese sulfate and ammonia bicarbonate as reactants. The preparation of spherical composite carbonate was significantly dependant on synthetic condition, such as the reaction temperature, feed rate, molar ratio of these reactants, etc. The optimized condition resulted in spherical composite carbonate of which the particle size distribution was uniform, as observed by scanning electronic microscopy (SEM). Calcination of the uniform composite carbonate with lithium carbonate at high temperature led to a well-ordered layer structured LiNi 1/3Mn 1/3Co 1/3O 2 as confirmed by X-ray diffraction (XRD), without obvious change in shape. Due to the homogeneity of the composite carbonate, the final product, LiNi 1/3Mn 1/3Co 1/3O 2, was also significantly uniform, i.e., the average particle size was of about 10 μm in diameter and the distribution was relatively narrow. As a result, the corresponding tap density was also high, approximately 2.32 g cm -3, of which the value is very near to that of commercialized LiCoO 2. In the voltage range of 2.8-4.2, 2.8-4.35 and 2.8-4.5 V, the discharge capacities of LiNi 1/3Mn 1/3Co 1/3O 2 electrode were 159, 168 and 179 mAh g -1, respectively, with good cyclability.

  6. Short and general procedure for synthesizing cis-1,2-fused 1,3-oxathiolan-, 1,3-oxaselenolan-, and 1,3-oxazolidin-2-imine carbohydrate derivatives.

    PubMed

    Castilla, Javier; Marín, Irene; Matheu, M Isabel; Díaz, Yolanda; Castillón, Sergio

    2010-01-15

    Novel cis-1,2-fused 1,3-oxathiolan-, 1,3-oxaselenolan-, and 1,3-oxazolidin-2-imine carbohydrate derivatives have been prepared by treatment of the corresponding 1,2-anhydrosugars with potassium thiocyanate, potassium selenocyanate, and sodium cyanamide, respectively. The procedure is compatible with several protecting groups such as acyl, benzyl, and silyl and also with sugars of different configurations.

  7. MILCOM '91 - IEEE Military Communications Conference, McLean, VA, Nov. 4-7, 1991, Conference Record. Vols. 1-3

    NASA Astrophysics Data System (ADS)

    Various papers on military communications are presented. Some of the general topics addressed are: network protocols and routing, circuit technology, VLF/LF systems, C3 modeling, digital signal processing in modulation/demodulation, spread spectrum networks, civil communications in Europe, propagation, antennas, communication systems performance, link level modeling, standards, modulation in satellite communications, modulation and spread spectrum, interference suppression in spread spectrum systems, key military technical problems, broadband networks, network control and management, satellite communication systems, meteor burst communications, trends in tactical communications. Also discussed are: LPI techniques, modulation techniques, spread spectrum communications, commercial and military communications systems and technology, network performance modeling, meteor burst applications, communications for distributed C3 systems, information security and computer security, sequencing and acquisition, LPI systems laser communications applications, technological opportunities.

  8. GLOBECOM '90 - IEEE Global Telecommunications Conference and Exhibition, San Diego, CA, Dec. 2-5, 1990, Conference Record. Vols. 1-3

    NASA Astrophysics Data System (ADS)

    Various papers on telecommunications are presented. Some of the individual topics addressed include: evaluating scheduling algorithms for traffic with heterogeneous performance objectives, propagation effects and system performance considerations for satellite communications above 10 GHz, aspects of the Olympus propagation experiment carried out by the Research Institute of the Deutsche Budespost Telekom, experimental campaign for the characterization of the propagation features on satellite links in the HSF bands, propagation experiments at Virgina Tech with the Olympus satellite, the Canadian Olympus Propagation Experiment, Fade/Nonfade duration characteristics of Land Mobile Satellite Communication Link, instantaneous CFAR algorithm. Also discussed are: error probabilities of frequency-hopped MFSK with noise-normalization combining in a fading channel with partial-band interference, adaptive interference rejection for noncoherent digital direct sequence spread spectrum receivers, multiple trellis coded modulation using VFSK/MPSK modulation, TCM on frequency-selective fading channels: comparison of soft-output probabilistic equalizers, trellis-coded modulation with high-speed low complexity decoding, comparison study of low bit rate DE-QPSK and TCM 8-PSK fully digital demodulators over a land mobile satellite linkk, spectral efficiency of SFH-GMSK in land mobile telephone communication by direct simulation, modeling of the Space Station Freedom Data Management System.

  9. Transformation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by permanganate.

    PubMed

    Chokejaroenrat, Chanat; Comfort, Steve D; Harris, Clifford E; Snow, Daniel D; Cassada, David; Sakulthaew, Chainarong; Satapanajaru, Tunlawit

    2011-04-15

    The chemical oxidant permanganate (MnO(4)(-)) has been shown to effectively transform hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) at both the laboratory and field scales. We treated RDX with MnO(4)(-) with the objective of quantifying the effects of pH and temperature on destruction kinetics and determining reaction rates. A nitrogen mass balance and the distribution of reaction products were used to provide insight into reaction mechanisms. Kinetic experiments (at pH ∼ 7, 25 °C) verified that RDX-MnO(4)(-) reaction was first-order with respect to MnO(4)(-) and initial RDX concentration (second-order rate: 4.2 × 10(-5) M(-1) s(-1)). Batch experiments showed that choice of quenching agents (MnSO(4), MnCO(3), and H(2)O(2)) influenced sample pH and product distribution. When MnCO(3) was used as a quenching agent, the pH of the RDX-MnO(4)(-) solution was relatively unchanged and N(2)O and NO(3)(-) constituted 94% of the N-containing products after 80% of the RDX was transformed. On the basis of the preponderance of N(2)O produced under neutral pH (molar ratio N(2)O/NO(3) ∼ 5:1), no strong pH effect on RDX-MnO(4)(-) reaction rates, a lower activation energy than the hydrolysis pathway, and previous literature on MnO(4)(-) oxidation of amines, we propose that RDX-MnO(4)(-) reaction involves direct oxidation of the methylene group (hydride abstraction), followed by hydrolysis of the resulting imides, and decarboxylation of the resulting carboxylic acids to form N(2)O, CO(2), and H(2)O.

  10. 21 CFR 172.712 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Other Specific Usage Additives § 172.712 1,3-Butylene glycol. The food additive 1,3-butylene glycol (CAS... 20740, or may be examined at the Center for Food Safety and Applied Nutrition's Library, Food and...

  11. 21 CFR 573.225 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... DRUGS, FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive Listing § 573.225 1,3-Butylene glycol. The food additive 1,3-butylene glycol (1,3-butanediol) may... 21 Food and Drugs 6 2012-04-01 2012-04-01 false 1,3-Butylene glycol. 573.225 Section 573.225 Food...

  12. 21 CFR 573.225 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... DRUGS, FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive Listing § 573.225 1,3-Butylene glycol. The food additive 1,3-butylene glycol (1,3-butanediol) may... 21 Food and Drugs 6 2011-04-01 2011-04-01 false 1,3-Butylene glycol. 573.225 Section 573.225 Food...

  13. 21 CFR 573.225 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... DRUGS, FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive Listing § 573.225 1,3-Butylene glycol. The food additive 1,3-butylene glycol (1,3-butanediol) may... 21 Food and Drugs 6 2014-04-01 2014-04-01 false 1,3-Butylene glycol. 573.225 Section 573.225 Food...

  14. 21 CFR 573.225 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... DRUGS, FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food Additive Listing § 573.225 1,3-Butylene glycol. The food additive 1,3-butylene glycol (1,3-butanediol) may... 21 Food and Drugs 6 2013-04-01 2013-04-01 false 1,3-Butylene glycol. 573.225 Section 573.225 Food...

  15. Separation of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane and 1,3,5-trinitro-1,3,5- triazacyclohexane by molecularly imprinted solid-phase extraction.

    PubMed

    Wang, Jian; Meng, Zi-Hui; Xue, Min; Qiu, Li-Li; Zhang, Chen-Fan

    2017-03-01

    Synthesis of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane and 1,3,5-trinitro-1,3,5-triazacyclohexane by the Bachmann process leads to a mixture of both. The separation of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane and 1,3,5-trinitro-1,3,5-triazacyclohexane from their mixture is difficult because the sizes and physical properties of these homologous compounds are similar. For this purpose, seven molecularly imprinted polymers have been synthesized for each explosive, and a selective solid-phase extraction procedure has been developed. A molecularly imprinted polymer, synthesized with 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane as the template, methacrylic acid as the monomer and trimethylolpropane trimethacrylate as the cross-linking agent in a molar ratio of 1:8:8 showed the best separation capability. A packed cartridge containing this polymer can be reused for 23 solid-phase extraction cycles without repacking, and the total separation capability toward 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane reached 6.81 mg per gram of polymer. 1,3,5-Trinitro-1,3,5-triazacyclohexane was not detected in the separated 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane by high-performance liquid chromatography and vice versa. This newly developed method had the advantages of high recovery (100%) and purity, environmental friendliness, and room temperature operability. This study showed that some molecularly imprinted polymers that cannot absorb target analytes well in the solvent in which the polymers were polymerized might have high-binding capacity for the analytes and show imprinting effects in other solvents.

  16. 1,3,2-Dioxaarsolanes. Attempts to synthesize hydrospiroarsoranes

    SciTech Connect

    Gamayurova, V.S.; Niyazov, N.A.

    1986-04-20

    2-Hydroxyalkoxyloxy-1,3,2-dioxaarsolanes were obtained by the interaction of trialkyl arsenites with diols and in the absence of steric hindrance were inclined toward dimerization with the formation of 2,2-ethylenedioxybis(1,3,2-dioxaarsolanes). o-Hydroxyphenylenoxy-benzo-1,3,2-dioxaarsole in solution is in equilibrium with 2-hydro-2,2-spirodibenzo-1,3,2-di-oxaarsoranide.

  17. 49 CFR 1.3 - Organization of the Department.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 1 2011-10-01 2011-10-01 false Organization of the Department. 1.3 Section 1.3 Transportation Office of the Secretary of Transportation ORGANIZATION AND DELEGATION OF POWERS AND DUTIES General § 1.3 Organization of the Department. (a) The Secretary of Transportation is the head of...

  18. 14 CFR 1.3 - Rules of construction.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Rules of construction. 1.3 Section 1.3 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION DEFINITIONS DEFINITIONS AND ABBREVIATIONS § 1.3 Rules of construction. (a) In Subchapters A through K of this chapter,...

  19. The industrial production and use of 1,3-butadiene.

    PubMed Central

    Morrow, N L

    1990-01-01

    This presentation provides a brief overview of the production and use of 1,3-butadiene in the United States. Starting as a coproduct of ethylene, the 1,3-butadiene monomer is extracted and purified, then transferred to consumers. Major uses of 1,3-butadiene include the manufacture of styrene-butadiene rubber, polybutadiene rubber, and adiponitrile. PMID:2205493

  20. Direct, Regioselective N-Alkylation of 1,3-Azoles.

    PubMed

    Chen, Shuai; Graceffa, Russell F; Boezio, Alessandro A

    2016-01-04

    Regioselective N-alkylation of 1,3-azoles is a valuable transformation. Organomagnesium reagents were discovered to be competent bases to affect regioselective alkylation of various 1,3-azoles. Counterintuitively, substitution selectively occurred at the more sterically hindered nitrogen atom. Numerous examples are provided, on varying 1,3-azole scaffolds, with yields ranging from 25 to 95%.

  1. 7 CFR 1.3 - Agency implementing regulations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Agency implementing regulations. 1.3 Section 1.3 Agriculture Office of the Secretary of Agriculture ADMINISTRATIVE REGULATIONS Official Records § 1.3 Agency implementing regulations. Each agency of the Department shall promulgate regulations setting forth...

  2. 7 CFR 1.3 - Agency implementing regulations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 1 2013-01-01 2013-01-01 false Agency implementing regulations. 1.3 Section 1.3 Agriculture Office of the Secretary of Agriculture ADMINISTRATIVE REGULATIONS Official Records § 1.3 Agency implementing regulations. Each agency of the Department shall promulgate regulations setting forth...

  3. 48 CFR 970.0407-1-3 - Contract clause.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 5 2011-10-01 2011-10-01 false Contract clause. 970.0407-1-3 Section 970.0407-1-3 Federal Acquisition Regulations System DEPARTMENT OF ENERGY AGENCY SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Administrative Matters 970.0407-1-3 Contract...

  4. 48 CFR 970.0407-1-3 - Contract clause.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 5 2012-10-01 2012-10-01 false Contract clause. 970.0407-1-3 Section 970.0407-1-3 Federal Acquisition Regulations System DEPARTMENT OF ENERGY AGENCY SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Administrative Matters 970.0407-1-3 Contract...

  5. 48 CFR 970.0407-1-3 - Contract clause.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 5 2013-10-01 2013-10-01 false Contract clause. 970.0407-1-3 Section 970.0407-1-3 Federal Acquisition Regulations System DEPARTMENT OF ENERGY AGENCY SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Administrative Matters 970.0407-1-3 Contract...

  6. 49 CFR 1.3 - Exercise of authority.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 1 2013-10-01 2013-10-01 false Exercise of authority. 1.3 Section 1.3... § 1.3 Exercise of authority. (a) In exercising powers and performing duties delegated by this part or..., the Assistant Secretaries, the Inspector General, and the Administrators exercise the powers...

  7. 49 CFR 1.3 - Exercise of authority.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 1 2012-10-01 2012-10-01 false Exercise of authority. 1.3 Section 1.3... § 1.3 Exercise of authority. (a) In exercising powers and performing duties delegated by this part or..., the Assistant Secretaries, the Inspector General, and the Administrators exercise the powers...

  8. 49 CFR 1.3 - Exercise of authority.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 1 2014-10-01 2014-10-01 false Exercise of authority. 1.3 Section 1.3... § 1.3 Exercise of authority. (a) In exercising powers and performing duties delegated by this part or..., the Assistant Secretaries, the Inspector General, and the Administrators exercise the powers...

  9. 10 CFR 960.3-1-3 - Regionality.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 4 2012-01-01 2012-01-01 false Regionality. 960.3-1-3 Section 960.3-1-3 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-3 Regionality. In making site recommendations for...

  10. 10 CFR 960.3-1-3 - Regionality.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false Regionality. 960.3-1-3 Section 960.3-1-3 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-3 Regionality. In making site recommendations for...

  11. 10 CFR 960.3-1-3 - Regionality.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 4 2014-01-01 2014-01-01 false Regionality. 960.3-1-3 Section 960.3-1-3 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-3 Regionality. In making site recommendations for...

  12. 10 CFR 960.3-1-3 - Regionality.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Regionality. 960.3-1-3 Section 960.3-1-3 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-3 Regionality. In making site recommendations for...

  13. 10 CFR 960.3-1-3 - Regionality.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Regionality. 960.3-1-3 Section 960.3-1-3 Energy DEPARTMENT OF ENERGY GENERAL GUIDELINES FOR THE PRELIMINARY SCREENING OF POTENTIAL SITES FOR A NUCLEAR WASTE REPOSITORY Implementation Guidelines § 960.3-1-3 Regionality. In making site recommendations for...

  14. Synthesis of high performance LiNi1/3Mn1/3Co1/3O2 from lithium ion battery recovery stream

    NASA Astrophysics Data System (ADS)

    Sa, Qina; Gratz, Eric; He, Meinan; Lu, Wenquan; Apelian, Diran; Wang, Yan

    2015-05-01

    Spent lithium ion batteries that contain valuable metal elements such as Co, Ni, Mn, Cu are being landfilled in many countries and raising resources depletion and human toxicity potentials. Low cost and high efficiency recovery process is highly desired. In this work we confirmed that high performance Ni1/3Mn1/3Co1/3(OH)2 precursor and LiNi1/3Mn1/3Co1/3O2 cathode material can be synthesized from leaching solution of a lithium ion battery recovery stream. The precursor was synthesized from a typical co-precipitation process with carefully controlling the reaction parameters. Electrochemical properties including rate capacity and cycle life were tested to evaluate the final product. The results show that the cathode material synthesized from spent lithium ion battery recovery stream is performing a discharge capacity of 158 mAh/g at first cycle of 0.1C and 139 mAh/g at first cycle of 0.5C cycle life test. After 100 and 200 cycles, still over 80% and 65% of capacity is remained, respectively. The materials are also evaluated independently at Argonne National Laboratory.

  15. PEDOT modified LiNi1/3Co1/3Mn1/3O2 with enhanced electrochemical performance for lithium ion batteries

    NASA Astrophysics Data System (ADS)

    Liu, Xizheng; Li, Huiqiao; Li, De; Ishida, Masayoshi; Zhou, Haoshen

    2013-12-01

    Layered LiNi1/3Co1/3Mn1/3O2 was modified by poly(3,4-dioxyethylenethiophene) PEDOT via a facile method and characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and infrared spectroscopy (IR). PEDOT modified samples exhibited both improved rate and cycle performance compared with the pristine LiNi1/3Co1/3Mn1/3O2. At a charge/discharge current of 1500 mA g-1, the discharge capacity was improved from 44.3 to 73.9 mAh g-1. The sample with 2 wt% and heat treated at 300 °C showed the optimized electrochemical performance. Galvanostatic intermittent titration technique (GITT) and cyclic voltammetry (CV) results indicated that the battery polarization of coated samples have been suppressed obviously because the PEDOT layer facilitated the electron transfer at the interface of electrode and electrolyte.

  16. Capacity improvement by deficit of transition metals in inverse spinel LiNi1/3Co1/3Mn1/3VO4 cathodes

    NASA Astrophysics Data System (ADS)

    Kitajou, Ayuko; Yoshida, Jun; Nakanishi, Shinji; Matsuda, Yasuaki; Kanno, Ryoji; Okajima, Toshihiro; Okada, Shigeto

    2016-01-01

    Although inverse spinel materials have attracted attention because of their unusually high voltage characteristics, their rechargeable capacities are generally less than 50 mAh g-1, as a result of the coexistence of Li and transition metal ions at 16d octahedral sites. This work attempted to improve cathode functioning by optimizing the quantities of Li and transition metal ions residing at the 16d sites of LiNi1/3Co1/3Mn1/3VO4. The rechargeable capacity of the LiNi0.28Co0.28Mn0.26V0.80O4 synthesized in the present study was found to be above 120 mAh g-1, representing the largest capacity reported to date for an inverse spinel material. The results of in-situ XANES analysis demonstrated that the charge-discharge reactions of LiNi1/3Co1/3Mn1/3VO4 corresponds to the Mn2+/Mn4+ and Co2+/Co3+ redox couples, mainly.

  17. volBrain: An Online MRI Brain Volumetry System.

    PubMed

    Manjón, José V; Coupé, Pierrick

    2016-01-01

    The amount of medical image data produced in clinical and research settings is rapidly growing resulting in vast amount of data to analyze. Automatic and reliable quantitative analysis tools, including segmentation, allow to analyze brain development and to understand specific patterns of many neurological diseases. This field has recently experienced many advances with successful techniques based on non-linear warping and label fusion. In this work we present a novel and fully automatic pipeline for volumetric brain analysis based on multi-atlas label fusion technology that is able to provide accurate volumetric information at different levels of detail in a short time. This method is available through the volBrain online web interface (http://volbrain.upv.es), which is publically and freely accessible to the scientific community. Our new framework has been compared with current state-of-the-art methods showing very competitive results.

  18. volBrain: An Online MRI Brain Volumetry System

    PubMed Central

    Manjón, José V.; Coupé, Pierrick

    2016-01-01

    The amount of medical image data produced in clinical and research settings is rapidly growing resulting in vast amount of data to analyze. Automatic and reliable quantitative analysis tools, including segmentation, allow to analyze brain development and to understand specific patterns of many neurological diseases. This field has recently experienced many advances with successful techniques based on non-linear warping and label fusion. In this work we present a novel and fully automatic pipeline for volumetric brain analysis based on multi-atlas label fusion technology that is able to provide accurate volumetric information at different levels of detail in a short time. This method is available through the volBrain online web interface (http://volbrain.upv.es), which is publically and freely accessible to the scientific community. Our new framework has been compared with current state-of-the-art methods showing very competitive results. PMID:27512372

  19. Cell immobilization for microbial production of 1,3-propanediol.

    PubMed

    Gungormusler-Yilmaz, Mine; Cicek, Nazim; Levin, David B; Azbar, Nuri

    2016-01-01

    Cell and enzyme immobilization are often used for industrial production of high-value products. In recent years, immobilization techniques have been applied to the production of value-added chemicals such as 1,3-Propanediol (1,3-PDO). Biotechnological fermentation is an attractive alternative to current 1,3-PDO production methods, which are primarily thermochemical processes, as it generates high volumetric yields of 1,3-PDO, is a much less energy intensive process, and generates lower amounts of environmental organic pollutants. Although several approaches including: batch, fed-batch, continuous-feed and two-step continuous-feed were tested in suspended systems, it has been well demonstrated that cell immobilization techniques can significantly enhance 1,3-PDO production and allow robust continuous production in smaller bioreactors. This review covers various immobilization methods and their application for 1,3-PDO production.

  20. HEALTH ASSESSMENT OF 1,3-BUTADIENE | Science ...

    EPA Pesticide Factsheets

    This assessment was conducted to review the new information that has become available since EPA's 1985 health assessment of 1,3-butadiene.1,3-Butadiene is a gas used commercially in the production of styrene-butadiene rubber, plastics, and thermoplastic resins. The major environmental source of 1,3-butadiene is the incomplete combustion of fuels from mobile sources (e.g., automobile exhaust). Tobacco smoke can be a significant source of 1,3-butadiene in indoor air.This assessment concludes that 1,3-butadiene is carcinogenic to humans by inhalation, based on the total weight of evidence. The specific mechanisms of 1,3-butadiene-induced carcinogenesis are unknown; however, it is virtually certain that the carcinogenic effects are mediated by genotoxic metabolites of 1,3-butadiene.Animal data suggest that females may be more sensitive than males for cancer effects; nevertheless, there are insufficient data from which to draw any conclusions on potentially sensitive subpopulations.The human incremental lifetime unit cancer (incidence) risk estimate is based on extrapolation from leukemias observed in an occupational epidemiologic study. A twofold adjustment to the epidemiologic-based unit cancer risk is then applied to reflect evidence from the rodent bioassays suggesting that the epidemiologic-based estimate may underestimate total cancer risk from 1,3-butadiene exposure in the general population. 1,3-Butadiene also causes a variety of reproductive and develop

  1. Synthesis of 1,3,4-thiadiazole, 1,3,4-thiadiazine, 1,3,6-thiadiazepane and quinoxaline derivatives from symmetrical dithiobiureas and thioureidoethylthiourea derivatives.

    PubMed

    Hassan, Alaa A; Mourad, Aboul-Fetouh; El-Shaieb, Kamal M; Abou-Zied, Ashraf H

    2005-08-31

    Reactions of N,N;-disubstituted hydrazinecarbothioamides 8a-c and substituted thioureidoethylthioureas 9a-c with 2,3,5,6-tetrachloro-1,4-benzoquinone (chloranil, 10a) and 2,3,5,6-tetrabromo-1,4-benzoquinone (bromanil, 10b) to form N,N;-disubstituted [1,3,4]thiadiazole-2,5-diamines 11a-c, 6,7-dichloro-3-substituted amino-1H-benzo[1,3,4]- thiadiazine-5,8-diones 12a-c, 2,3,7,8-tetrahalothianthrene-1,4,6,9-tetraones 13a,b, 5,6,8- trihalo-7-oxo-3,7-dihydro-2H-quinoxaline-1-carbothioic acid substituted amides 14a-c, 15a-c and 7-substituted imino-[1,3,6]thiadiazepane-3-thiones 16a-c are reported. Rationales for the observed conversions are presented.

  2. Lithium Diffusion & Magnetism in Battery Cathode Material LixNi1/3Co1/3Mn1/3O2

    NASA Astrophysics Data System (ADS)

    Månsson, M.; Nozaki, H.; Wikberg, J. M.; Prša, K.; Sassa, Y.; Dahbi, M.; Kamazawa, K.; Sedlak, K.; Watanabe, I.; Sugiyama, J.

    2014-12-01

    We have studied low-temperature magnetic properties as well as high-temperature lithium ion diffusion in the battery cathode materials LixNi1/3Co1/3Mn1/3O2 by the use of muon spin rotation/relaxation. Our data reveal that the samples enter into a 2D spin-glass state below TSG ≈ 12 K. We further show that lithium diffusion channels become active for T >= Tdiff ~ 125 K where the Li-ion hopping-rate [v(T)] starts to increase exponentially. Further, v(T) is found to fit very well to an Arrhenius type equation and the activation energy for the diffusion process is extracted as Ea ≈ 100 meV.

  3. The recognition mechanism of triple-helical β-1,3-glucan by a β-1,3-glucanase.

    PubMed

    Qin, Zhen; Yang, Dong; You, Xin; Liu, Yu; Hu, Songqing; Yan, Qiaojuan; Yang, Shaoqing; Jiang, Zhengqiang

    2017-08-17

    β-1,3-Glucan is one of the most abundant polysaccharides in fungi. Recognition of β-1,3-glucan occurs in both hydrolysis by glycoside hydrolases and immunological recognition. Our study provides a novel structural account of how glycoside hydrolase recognizes and hydrolyzes substrates in a triple-helical form and presents a general structural basis of β-1,3-glucan recognition.

  4. 43 CFR 3420.1-3 - Special leasing opportunities.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false Special leasing opportunities. 3420.1-3... MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) COMPETITIVE LEASING Competitive Leasing § 3420.1-3 Special leasing opportunities. (a) The Secretary shall, under the procedures established...

  5. 43 CFR 3420.1-3 - Special leasing opportunities.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 2 2012-10-01 2012-10-01 false Special leasing opportunities. 3420.1-3... MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) COMPETITIVE LEASING Competitive Leasing § 3420.1-3 Special leasing opportunities. (a) The Secretary shall, under the procedures established...

  6. 43 CFR 3420.1-3 - Special leasing opportunities.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 43 Public Lands: Interior 2 2014-10-01 2014-10-01 false Special leasing opportunities. 3420.1-3... MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) COMPETITIVE LEASING Competitive Leasing § 3420.1-3 Special leasing opportunities. (a) The Secretary shall, under the procedures established...

  7. 43 CFR 3140.1-3 - Exploration plans.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 2 2011-10-01 2011-10-01 false Exploration plans. 3140.1-3 Section 3140.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) LEASING IN SPECIAL TAR SAND AREAS Conversion of...

  8. 43 CFR 9185.1-3 - Mining claims.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 2 2012-10-01 2012-10-01 false Mining claims. 9185.1-3 Section 9185.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT... Mining claims. (a) Application for survey. Application for the survey of a mining claim should be...

  9. 43 CFR 9185.1-3 - Mining claims.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 2 2011-10-01 2011-10-01 false Mining claims. 9185.1-3 Section 9185.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT... Mining claims. (a) Application for survey. Application for the survey of a mining claim should be...

  10. 43 CFR 9185.1-3 - Mining claims.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false Mining claims. 9185.1-3 Section 9185.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT... Mining claims. (a) Application for survey. Application for the survey of a mining claim should be...

  11. 43 CFR 9185.1-3 - Mining claims.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 43 Public Lands: Interior 2 2014-10-01 2014-10-01 false Mining claims. 9185.1-3 Section 9185.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT... Mining claims. (a) Application for survey. Application for the survey of a mining claim should be...

  12. 48 CFR 970.0407-1-3 - Contract clause.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Contract clause. 970.0407-1-3 Section 970.0407-1-3 Federal Acquisition Regulations System DEPARTMENT OF ENERGY AGENCY... clause. The contracting officer shall insert the clause at 970.5204-3, Access to and Ownership of...

  13. 43 CFR 3140.1-3 - Exploration plans.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false Exploration plans. 3140.1-3 Section 3140.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) LEASING IN SPECIAL TAR SAND AREAS Conversion of...

  14. 43 CFR 3140.1-3 - Exploration plans.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 43 Public Lands: Interior 2 2014-10-01 2014-10-01 false Exploration plans. 3140.1-3 Section 3140.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) LEASING IN SPECIAL TAR SAND AREAS Conversion of...

  15. 43 CFR 3140.1-3 - Exploration plans.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 2 2012-10-01 2012-10-01 false Exploration plans. 3140.1-3 Section 3140.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) LEASING IN SPECIAL TAR SAND AREAS Conversion of...

  16. 43 CFR 3420.1-3 - Special leasing opportunities.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 2 2011-10-01 2011-10-01 false Special leasing opportunities. 3420.1-3... MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) COMPETITIVE LEASING Competitive Leasing § 3420.1-3 Special leasing opportunities. (a) The Secretary shall, under the procedures established...

  17. Mixed inhibition of adenosine deaminase activity by 1,3-dinitrobenzene: a model for understanding cell-selective neurotoxicity in chemically-induced energy deprivation syndromes in brain.

    PubMed

    Wang, Yipei; Liu, Xin; Schneider, Brandon; Zverina, Elaina A; Russ, Kristen; Wijeyesakere, Sanjeeva J; Fierke, Carol A; Richardson, Rudy J; Philbert, Martin A

    2012-02-01

    Astrocytes are acutely sensitive to 1,3-dinitrobenzene (1,3-DNB) while adjacent neurons are relatively unaffected, consistent with other chemically-induced energy deprivation syndromes. Previous studies have investigated the role of astrocytes in protecting neurons from hypoxia and chemical injury via adenosine release. Adenosine is considered neuroprotective, but it is rapidly removed by extracellular deaminases such as adenosine deaminase (ADA). The present study tested the hypothesis that ADA is inhibited by 1,3-DNB as a substrate mimic, thereby preventing adenosine catabolism. ADA was inhibited by 1,3-DNB with an IC(50) of 284 μM, Hill slope, n = 4.8 ± 0.4. Native gel electrophoresis showed that 1,3-DNB did not denature ADA. Furthermore, adding Triton X-100 (0.01-0.05%, wt/vol), Nonidet P-40 (0.0015-0.0036%, wt/vol), or bovine serum albumin (0.05 mg/ml or changing [ADA] (0.2 and 2 nM) did not substantially alter the 1,3-DNB IC(50) value. Likewise, dynamic light scattering showed no particle formation over a (1,3-DNB) range of 149-1043 μM. Kinetics revealed mixed inhibition with 1,3-DNB binding to ADA (K(I) = 520 ± 100 μM, n = 1 ± 0.6) and the ADA-adenosine complex (K(IS) = 262 ± 7 μM, n = 6 ± 0.6, indicating positive cooperativity). In accord with the kinetics, docking predicted binding of 1,3-DNB to the active site and three peripheral sites. In addition, exposure of DI TNC-1 astrocytes to 10-500 μM 1,3-DNB produced concentration-dependent increases in extracellular adenosine at 24 h. Overall, the results demonstrate that 1,3-DNB is a mixed inhibitor of ADA and may thus lead to increases in extracellular adenosine. The finding may provide insights to guide future work on chemically-induced energy deprivation.

  18. Sorption of the fumigant 1,3-dichloropropene on soil.

    PubMed

    Park, Moon-Ki; Kim, Jung-Ho; Dungan, Robert S

    2004-05-01

    The fumigant 1,3-dichloropropene (1,3-D) is considered a major replacement to methyl bromide, which is to be phased out of use in the United States by 2005. The main purpose of this study was to evaluate soil-water partitioning of 1,3-D in two California agricultural soils (Salinas clay loam and Arlington sandy loam). The partition coefficients (Kd and Kf) were determined by directly measuring the concentration of 1,3-D in the solid phase (Cs) and aqueous phase (Cw) after batch equilibration. In the Salinas clay loam, the Kf of cis-1,3-D in adsorption and desorption isotherms was 0.47 and 0.54, respectively, with respective values of 0.39 and 0.49 for trans-1,3-D. This slight hysteric effect suggests that a different range of forces are involved in the adsorption and desorption process. Since n was near unity in the Freundlich equation, the Freundlich isotherms can also be approximated using the liner isotherm. At 25 degrees C, the Kd of the 1,3-D isomers in both soils ranged from 0.46 to 0.56, and the Koc (organic matter partition coefficient) ranged from 58 to 70. The relatively low Kd values and a Koc that falls within the range of 50-150, suggests that 1,3-D is weakly sorbed and highly mobile in these soils. Understanding the sorption behavior of 1,3-D in soil is important when developing fumigation practices to reduce the movement of 1,3-D to the air and groundwater.

  19. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (Rdx) (External Review Draft)

    EPA Science Inventory

    The IRIS Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) was released for external peer review in September 2016. The EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis suppor...

  20. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (Rdx) (Interagency Science Consultation Draft)

    EPA Science Inventory

    On March 10, 2016, the public comment draft Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine and the draft charge to external peer reviewers were released for public review and comment. The Toxicological Review and charge were reviewed internally by EPA and by othe...

  1. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (Rdx) (Interagency Science Consultation Draft)

    EPA Science Inventory

    On March 10, 2016, the public comment draft Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine and the draft charge to external peer reviewers were released for public review and comment. The Toxicological Review and charge were reviewed internally by EPA and by othe...

  2. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (Rdx) (Public Comment Draft)

    EPA Science Inventory

    EPA is developing an Integrated Risk Information System (IRIS) assessment of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and has released the draft assessment for public comment. When final, the assessment will appear on the IRIS database.

  3. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (Rdx) (Public Comment Draft)

    EPA Science Inventory

    EPA is developing an Integrated Risk Information System (IRIS) assessment of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and has released the draft assessment for public comment. When final, the assessment will appear on the IRIS database.

  4. Identification of ovine ruminal microbes capable of biotransforming hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX)

    USDA-ARS?s Scientific Manuscript database

    Bioremediation is of great interest in the detoxification of soil contaminated with residues from explosives such as hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Although there are numerous forms of in situ and ex situ bioremediation, ruminants would provide the option of an in situ bioreactor tha...

  5. IRIS Toxicological Review of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (Rdx) (External Review Draft)

    EPA Science Inventory

    The IRIS Toxicological Review of Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) was released for external peer review in September 2016. The EPA’s Science Advisory Board’s (SAB) Chemical Assessment Advisory Committee (CAAC) will conduct a peer review of the scientific basis suppor...

  6. Regulation of aldosterone secretion by Cav1.3

    PubMed Central

    Xie, Catherine B.; Haris Shaikh, Lalarukh; Garg, Sumedha; Tanriver, Gizem; Teo, Ada E. D.; Zhou, Junhua; Maniero, Carmela; Zhao, Wanfeng; Kang, Soosung; Silverman, Richard B.; Azizan, Elena A. B.; Brown, Morris J.

    2016-01-01

    Aldosterone-producing adenomas (APAs) vary in phenotype and genotype. Zona glomerulosa (ZG)-like APAs frequently have mutations of an L-type calcium channel (LTCC) CaV1.3. Using a novel antagonist of CaV1.3, compound 8, we investigated the role of CaV1.3 on steroidogenesis in the human adrenocortical cell line, H295R, and in primary human adrenal cells. This investigational drug was compared with the common antihypertensive drug nifedipine, which has 4.5-fold selectivity for the vascular LTCC, CaV1.2, over CaV1.3. In H295R cells transfected with wild-type or mutant CaV1.3 channels, the latter produced more aldosterone than wild-type, which was ameliorated by 100 μM of compound 8. In primary adrenal and non-transfected H295R cells, compound 8 decreased aldosterone production similar to high concentration of nifedipine (100 μM). Selective CaV1.3 blockade may offer a novel way of treating primary hyperaldosteronism, which avoids the vascular side effects of CaV1.2-blockade, and provides targeted treatment for ZG-like APAs with mutations of CaV1.3. PMID:27098837

  7. Dielectric properties of multiatomic alcohols: 1,3-butanediol

    NASA Astrophysics Data System (ADS)

    Zhuravlev, V. I.

    2016-10-01

    The dielectric spectra of 1,3-butanediol in the temperature range of 298-423 K are analyzed using a variety of theoretical approaches. It is shown that the dielectric spectra of 1,3-butanediol are described by the Davidson-Cole equation. Conclusions as to possible mechanisms of dispersion are drawn using the Debye theory. The relaxation times of 1,3-butanediol, calculated in different ways, are compared. The dipole moments of clusters are calculated for the first time using the Dissado-Hill cluster model.

  8. 1,3,4-oxadiazole: a biologically active scaffold.

    PubMed

    Khalilullah, H; Ahsan, M J; Hedaitullah, Md; Khan, S; Ahmed, B

    2012-07-01

    There has been considerable interest in the development of novel compounds with anticonvulsant, antidepressant, analgesic, anti-inflammatory, antiallergic, antipsychotic, antimicrobial, antimycobecterial, antitumour, antiviral and antitubercular activities. 1,3,4-oxadiazoles constitute an important class of compounds for new drug development. Therefore, many researchers have synthesized these compounds as target structures and evaluated their biological activities. These observations led to the development of new 1,3,4-oxadiazole derivatives. This review article describes the various biological activities associated with 1,3,4-oxadiazole ring system and is useful in guiding the researchers across the world working on this moiety and consequently have been instrumental in the advancement of 1,3,4-oxadiazole chemistry.

  9. 10 CFR 1.3 - Sources of additional information.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Regional Offices. In addition, NRC Functional Organization Charts, NUREG-0325, contains detailed... NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION Introduction § 1.3 Sources of additional information. (a) A statement of the NRC's organization, policies, procedures...

  10. Waste form characteristics report, revision 1.3

    SciTech Connect

    Leider, H.R.; Stout, R.B.

    1998-07-01

    This Waste Form Characteristics Report (WFCR) update, Version 1.3, incorporates substantial additions and changes to following 10 sections of the WFCR: 2.1.3.1 Cladding Degradation; 2.1.3.2 UO2 Oxidation in Fuel; 2.1.3.5 Dissolution Release from UO{sub 2}; 2.2.1.5 Fracture /Fragmentation Studies of Glass; 2.2.2.2 Dissolution Radionuclide Release from Glass; 2.2.2.3 Soluble-Precipitated/Colloidal Species from Glass; 3.2.2 Spent-Fuel Oxidation Models; 3.4.2 Spent-Fuel Dissolution Models; 3.5.1 Glass Dissolution Experimental Parameters; and 3.5.2 Glass Dissolution Models.

  11. 1. 3/4 VIEW, LOOKING NE. Philadelphia & Reading Railroad, ...

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

    1. 3/4 VIEW, LOOKING NE. - Philadelphia & Reading Railroad, Pedestrian Suspension Bridge, Foot of Sixth Street at Schuylkill River (formerly spanned Philadelphia & Reading main line at Reading Depot), Reading, Berks County, PA

  12. Process to prepare 1,3-diamino-5-pentafluorosulfanylbenzene

    NASA Technical Reports Server (NTRS)

    St.clair, Terry L. (Inventor); St.clair, Anne K. (Inventor); Thrasher, Joseph S. (Inventor)

    1993-01-01

    A process was developed to prepare 1,3-diamino- 5-pentafluoro sulfanylbenzene. This process involved two steps: preparing the dinitro compound, 1,3-dinitro- 5-pentafluoro sulfanylbenzene, and reducing this compound to form the corresponding diamine. This diamine was reacted with various dianhydrides, diacidchlorides, and epoxy resins to form polyimides, polyamides, and cross linked epoxies. These polymers were used to prepare semi-permeable membranes, wire coatings, and films.

  13. Debottlenecking the 1,3-propanediol pathway by metabolic engineering.

    PubMed

    Celińska, E

    2010-01-01

    The history of 1,3-propanediol (1,3-PD) conversion from being a specialty chemical to being a bulk chemical illustrates that the concerted effort of different metabolic engineering approaches brings the most successful results. In order to metabolically tailor the 1,3-PD production pathway multiple strategies have been pursued. Knocking-out genes responsible for by-products formation, intergeneric transfer and overexpression of the genes directly involved in the pathway, manipulation with internal redox balance, introduction of a synthetic flux control point, and modification of the substrate mechanism of transport are some of the strategies applied. The metabolic engineering of the microbial 1,3-PD production exploits both native producers and microorganisms with acquired ability to produce the diol via genetic manipulations. Combination of the appropriate genes from homologous and heterologous hosts is expected to bring a desired objective of production of 1,3-PD cheaply, efficiently and independently from non-renewable resources. The state-of-the-art of the 1,3-PD pathway metabolic engineering is reviewed in this paper.

  14. Metabolic engineering for the production of 1,3-propanediol

    SciTech Connect

    Cameron, D.C.; Tong, I.T., Skraly, F.A.

    1993-12-31

    Metabolic engineering involves the use of recombinant DNA techniques for the modification of intermediary metabolic pathways. Microorganisms have recently been engineered to produce compounds such as indigo, ethanol, fatty acids and polyhydroxyalkanoates. As a model system for research in metabolic engineering, the authors have constructed a strain of the bacterium Escherichia coli, that is able to produce 1,3-propanediol (1,3-PD) from glycerol. This strain contains the genes for the glycerol deydratase and the 1,3-PD oxidoreductase from Klebsiella pneumoniae. The authors have also investigated genetic and environmental strategies for improving the yield and productivity of 1,3-PD by the engineered organism. In addition to being a useful model system, 1,3-PD production is of current practical interest. First 1,3-PD (also known as trimethylene glycol) and 1,4-butanediol, the more readily available diols. Second, the volume of feedstock (glycerol) is expected to grow, as it is a by-product of the production of polyglycoside surfactants and biodiesel fluids.

  15. Key enzymes catalyzing glycerol to 1,3-propanediol.

    PubMed

    Jiang, Wei; Wang, Shizhen; Wang, Yuanpeng; Fang, Baishan

    2016-01-01

    Biodiesel can replace petroleum diesel as it is produced from animal fats and vegetable oils, and it produces about 10 % (w/w) glycerol, which is a promising new industrial microbial carbon, as a major by-product. One of the most potential applications of glycerol is its biotransformation to high value chemicals such as 1,3-propanediol (1,3-PD), dihydroxyacetone (DHA), succinic acid, etc., through microbial fermentation. Glycerol dehydratase, 1,3-propanediol dehydrogenase (1,3-propanediol-oxydoreductase), and glycerol dehydrogenase, which were encoded, respectively, by dhaB, dhaT, and dhaD and with DHA kinase are encompassed by the dha regulon, are the three key enzymes in glycerol bioconversion into 1,3-PD and DHA, and these are discussed in this review article. The summary of the main research direction of these three key enzyme and methods of glycerol bioconversion into 1,3-PD and DHA indicates their potential application in future enzymatic research and industrial production, especially in biodiesel industry.

  16. Investigation of micro-structured Li(Ni1/3Mn1/3Co1/3)O2 cathodes by laser-induced breakdown spectroscopy

    NASA Astrophysics Data System (ADS)

    Smyrek, P.; Zheng, Y.; Rakebrandt, J.-H.; Seifert, H. J.; Pfleging, W.

    2017-02-01

    Lithium nickel manganese cobalt oxide (Li(Ni1/3Mn1/3Co1/3)O2, NMC) thick film electrodes were manufactured by using the doctor-blade technique (tape-casting). Ultrafast laser-structuring was performed in order to improve the electrochemical performance. For this purpose, three-dimensional (3D) micro-structures such as free standing micropillars were generated in NMC cathodes by using femtosecond laser ablation. Laser-induced breakdown spectroscopy (LIBS) was used for post-mortem investigation of the lithium distribution of unstructured and femtosecond laser-structured NMC electrodes. For achieving a variable State-of-Health (SoH), both types of electrodes were electrochemically cycled. LIBS calibration was performed based on NMC electrodes with defined lithium amount. Those samples were produced by titration technique in a voltage window of 3.0 V - 5.0 V. Elemental mapping and elemental depth-profiling of lithium with a lateral resolution of 100 μm were applied in order to characterize the whole electrode surface. The main goal is to develop an optimized 3D cell design with improved electrochemical properties which can be correlated to a characteristic lithium distribution along 3D micro-structures at different SoH.

  17. Preparation and characterization of 18650 Li(Ni 1/3Co 1/3Mn 1/3)O 2/graphite high power batteries

    NASA Astrophysics Data System (ADS)

    He, Yan-Bing; Tang, Zhi-Yuan; Song, Quan-Sheng; Xie, Hui; Yang, Quan-Hong; Liu, Yuan-Gang; Ling, Guo-Wei

    The commercial 18650 Li(Ni 1/3Co 1/3Mn 1/3)O 2/graphite high power batteries were prepared and their electrochemical performance at temperatures of 25 and 50 °C was extensively investigated. The results showed that the charge-transfer resistance (R ct) and solid electrolyte interface resistance (R sei) of the high power batteries at 25 °C decreased as states of charge (SOC) increased from 0 to 60%, whereas R ct and R sei increased as SOC increased from 60 to 100%. The discharge plateau voltage of batteries reduced greatly with the increase in discharge rate at both 25 and 50 °C. The high power batteries could be discharged at a very wide current range to deliver most of their capacity and also showed excellent power cycling performance with discharge rate of as high as 10 C at 25 °C. The elevated working temperature did not influence the battery discharge capacity and cycling performance at lower discharge rates (e.g. 0.5, 1, and 5 C), while it resulted in lower discharge capacity at higher discharge rates (e.g. 10 and 15 C) and bad cycling performance at discharge rate of 10 C. The batteries also exhibited excellent cycle performance at charge rate of as high as 8 C and discharge rate of 10 C.

  18. Impact of morphological changes of LiNi1/3Mn1/3Co1/3O2 on lithium-ion cathode performances

    NASA Astrophysics Data System (ADS)

    Cabelguen, Pierre-Etienne; Peralta, David; Cugnet, Mikael; Maillet, Pascal

    2017-04-01

    Major advances in Li-ion battery technology rely on the nanostructuration of active materials to overcome the severe kinetics limitations of new - cheaper and safer - chemistries. However, opening porosities results in the decrease of volumetric performances, closing the door to significant applications such as portable electronics, electromobility, and grid storage. In this study, we analyze the link between morphologies and performances of model LiNi1/3Mn1/3Co1/3O2 materials. By quantifying exhaustively their microstructures using nitrogen adsorption, mercury intrusion porosimetry, and helium pycnometry, we can discuss how porosities and surface areas are linked to the electrochemical behavior. There is no geometrical parameters that can predict the performances of all our materials. The shape of agglomeration dictates the electrochemical behavior. A huge drop in volumetric performances is measured when microstructure is considered. We show that gravimetric and volumetric power performances are contrary to each other. Highly dense materials exhibit, by far, the best power performances in terms of volumetric figures, so that opening porosities might not be the best strategy, even in non-nanosized materials, for Li-ion battery technology.

  19. Improved electrolyte and its application in LiNi1/3Mn1/3Co1/3O2-Graphite full cells

    NASA Astrophysics Data System (ADS)

    Liu, Minghong; Dai, Fang; Ma, Zhiru; Ruthkosky, Marty; Yang, Li

    2014-12-01

    Lithium oxalatodifluoroborate (LiODFB) has been synthesized and used as a novel electrolyte additive. Standard and modified electrolytes were flame-sealed in NMR tubes and stored at 60 °C for 3 months. Multiple nuclear NMR (1H, 11B, 13C, 19F, 31P) studies confirmed that the modified electrolyte (2% LiODFB added) showed no signs of decomposition as that of regular electrolyte, which is possibly due to the -F of LiPF6 and oxalate of LiODFB ligand exchange effect. The high temperature stabilization mechanism of the added LiODFB was studied using quantum mechanical calculations. Electrochemical tests of LiNi1/3Mn1/3Co1/3O2 (NMC)-Graphite full-cells with and without LiODFB as the electrolyte additive were conducted. When cycling with the NMC-Graphite full-cell at elevated temperature (60 °C), the 100th cycle capacity retention rate of the modified electrolyte was 60%, compared to 27% with the standard electrolyte. The EIS study indicates the full-cells with LiODFB have much lower interfacial impedance than the standard cells. Theoretical calculations reveal that LiODFB generates a layer of thin and resilient SEI on the graphite surface at a higher reduction potential than ethylene carbonate (EC) due to its higher ring strain and protects graphite from the toxic Mn2+ resulting in improved electrochemical performance of NMC-Graphite based cells.

  20. Surface Structure, Morphology, and Stability of Li(Ni1/3Mn1/3Co1/3)O2 Cathode Material

    DOE PAGES

    Garcia, Juan C.; Bareño, Javier; Yan, Jianhua; ...

    2017-03-28

    Layered Li(Ni1-x-yMnxCoy)O2 (NMC) oxides are promising cathode materials capable of addressing some of the challenges associated with next-generation energy storage devices. In particular, improved energy densities, longer cycle-life, and improved safety characteristics with respect to current technologies are needed. However, sufficient knowledge on the atomic-scale processes governing these metrics in working cells is still lacking. Herein, Density Functional Theory (DFT) is employed to predict the stability of several low-index surfaces of Li(Ni1/3Mn1/3Co1/3)O2 (NMC111) as a function of Li and O chemical potentials. Predicted particle shapes are compared with those of single crystal NMCs synthesized under different conditions. The most stablemore » surfaces for stoichiometric NMC111 are predicted to be the non-polar (104), the polar (012) and (001), and the reconstructed, polar (110) surfaces. Results indicate that intermediate spin Co3+ ions lower the (104) surface energy. Furthermore, it was found that removing oxygen from the (012) surface was easier than from the (104) surface, suggesting a facet dependence on surface-oxygen vacancy formation. In conclusion, these results give important insights into design criteria for the rational control of synthesis parameters as well as establish a foundation on which future, mechanistic studies of NMC surface instabilities can be developed.« less

  1. Impact of morphological changes of LiNi1/3Mn1/3Co1/3O2 on lithium-ion cathode performances

    NASA Astrophysics Data System (ADS)

    Pierre-Etienne, Cabelguen; David, Peralta; Mikael, Cugnet; Pascal, Maillet

    2017-04-01

    Major advances in Li-ion battery technology rely on the nanostructuration of active materials to overcome the severe kinetics limitations of new - cheaper and safer - chemistries. However, opening porosities results in the decrease of volumetric performances, closing the door to significant applications such as portable electronics, electromobility, and grid storage. In this study, we analyze the link between morphologies and performances of model LiNi1/3Mn1/3Co1/3O2 materials. By quantifying exhaustively their microstructures using nitrogen adsorption, mercury intrusion porosimetry, and helium pycnometry, we can discuss how porosities and surface areas are linked to the electrochemical behavior. There is no geometrical parameters that can predict the performances of all our materials. The shape of agglomeration dictates the electrochemical behavior. A huge drop in volumetric performances is measured when microstructure is considered. We show that gravimetric and volumetric power performances are contrary to each other. Highly dense materials exhibit, by far, the best power performances in terms of volumetric figures, so that opening porosities might not be the best strategy, even in non-nanosized materials, for Li-ion battery technology.

  2. X-Ray structure investigation of 1,3-indandione and 1,3-dicyanomethyleneindan derivatives: A review

    NASA Astrophysics Data System (ADS)

    Chetkina, L. A.; Belsky, V. K.

    2008-07-01

    This paper generalizes the results of the X-ray structure investigations of crystals of the 1,3-indandione and 1,3-dicyanomethyleneindan derivatives (primarily, individual compounds, as well as crystal hydrates, crystal solvates, ionic salts, and betaine-like intraionic derivatives of 1,3-indandione). The structural features of molecules and crystals, the geometric parameters, and the intramolecular and intermolecular hydrogen bonds are discussed. Structural formulas of 92 compounds and selected geometric parameters of molecules and hydrogen bonds are presented in six tables.

  3. Lewis base catalyzed 1,3-dithiane addition to carbonyl and imino compounds using 2-trimethylsilyl-1,3-dithiane.

    PubMed

    Michida, Makoto; Mukaiyama, Teruaki

    2008-09-01

    Lewis base-catalyzed 1,3-dithiane addition to electrophiles such as carbonyl compounds and N-substituted aldimines with 2-trimethylsilyl-1,3-dithiane (TMS-dithiane) is described. By the activation of the carbon-silicon bond in the presence of a Lewis base catalyst such as tetrabutylammonium phenoxide (PhONnBu(4)), a 1,3-dithiane addition reaction proceeded smoothly to afford the corresponding adducts in good to high yields under mild conditions. This synthesis is also applied to the reactions of ketones having alpha-protons, and of N-substituted aldimines.

  4. Degradation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by Stenotrophomonas maltophilia PB1.

    PubMed Central

    Binks, P R; Nicklin, S; Bruce, N C

    1995-01-01

    A mixed microbial culture capable of metabolizing the explosive RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) was obtained from soil enrichments under aerobic and nitrogen-limiting conditions. A bacterium, Stenotrophomonas maltophilia PB1, isolated from the culture used RDX as a sole source of nitrogen for growth. Three moles of nitrogen was used per mole of RDX, yielding a metabolite identified by mass spectroscopy and 1H nuclear magnetic resonance analysis as methylene-N-(hydroxymethyl)-hydroxylamine-N'-(hydroxymethyl)nitroamin e. The bacterium also used s-triazine as a sole source of nitrogen but not the structurally similar compounds octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, cyanuric acid, and melamine. An inducible RDX-degrading activity was present in crude cell extracts. PMID:7747953

  5. Are Cav1.3 pacemaker channels in chromaffin cells?

    PubMed Central

    Striessnig, Joerg

    2011-01-01

    Mouse and rat chromaffin cells (MCCs, RCCs) fire spontaneously at rest and their activity is mainly supported by the two L-type Ca2+ channels expressed in these cells (Cav1.2 and Cav1.3). Using Cav1.3−/− KO MCCs we have shown that Cav1.3 possess all the prerequisites for carrying subthreshold currents that sustain low frequency cell firing near resting (0.5 to 2 Hz at −50 mV):1 low-threshold and steep voltage dependence of activation, slow and incomplete inactivation during pulses of several hundreds of milliseconds. Cav1.2 contributes also to pacemaking MCCs and possibly even Na+ channels may participate in the firing of a small percentage of cells. We now show that at potentials near resting (−50 mV), Cav1.3 carries equal amounts of Ca2+ current to Cav1.2 but activates at 9 mV more negative potentials. MCCs express only TTX-sensitive Nav1 channels that activate at 24 mV more positive potentials than Cav1.3 and are fully inactivating. Their blockade prevents the firing only in a small percentage of cells (13%). This suggests that the order of importance with regard to pacemaking MCCs is: Cav1.3, Cav1.2 and Nav1. The above conclusions, however, rely on the proper use of DHPs, whose blocking potency is strongly holding potential dependent. We also show that small increases of KCl concentration steadily depolarize the MCCs causing abnormally increased firing frequencies, lowered and broadened AP waveforms and an increased facility of switching “non-firing” into “firing” cells that may lead to erroneous conclusions about the role of Cav1.3 and Cav1.2 as pacemaker channels in MCCs.2 PMID:21406973

  6. Occupational exposure of workers to 1,3-butadiene.

    PubMed Central

    Fajen, J M; Roberts, D R; Ungers, L J; Krishnan, E R

    1990-01-01

    Researchers from the National Institute for Occupational Safety and Health (NIOSH) conducted an extent-of-exposure study of the 1,3-butadiene monomer, polymer, and end-user industries to determine the size of the exposed workforce, evaluate control technologies and personal protective equipment programs, and assess occupational exposure to 1,3-butadiene. A new analytical method was developed for 1,3-butadiene that increased the sensitivity and selectivity of the previous NIOSH method. The new method is sensitive to 0.2 microgram per 1,3-butadiene sample. Walk-through surveys were conducted in 11 monomer, 17 polymer, and 2 end-user plants. In-depth industrial hygiene surveys were conducted at 4 monomer, 5 polymer, and 2 end-user plants. Airborne exposure concentrations of 1,3-butadiene were determined using personal sampling for each job category. A total of 692 full shift and short-term personnel and 259 area air samples were examined for the presence of 1,3-butadiene. Sample results indicated that all worker exposures were well below the current OSHA PEL of 1000 ppm. Exposures ranged from less than 0.006 ppm to 374 ppm. The average exposure for all samples was less than 2 ppm. The present American Conference of Governmental Industrial Hygienists (ACGIH) threshold limit value for 1,3-butadiene is 10 ppm. To reduce the potential for occupational exposure, it is recommended that quality control sampling be conducted using a closed loop system. Also all process pumps should be retrofitted with dual mechanical seals, magnetic gauges should be used in loading and unloading rail cars, and engineering controls should be designed for safely voiding quality control cylinders. PMID:2401251

  7. Occupational exposure of workers to 1,3-butadiene.

    PubMed

    Fajen, J M; Roberts, D R; Ungers, L J; Krishnan, E R

    1990-06-01

    Researchers from the National Institute for Occupational Safety and Health (NIOSH) conducted an extent-of-exposure study of the 1,3-butadiene monomer, polymer, and end-user industries to determine the size of the exposed workforce, evaluate control technologies and personal protective equipment programs, and assess occupational exposure to 1,3-butadiene. A new analytical method was developed for 1,3-butadiene that increased the sensitivity and selectivity of the previous NIOSH method. The new method is sensitive to 0.2 microgram per 1,3-butadiene sample. Walk-through surveys were conducted in 11 monomer, 17 polymer, and 2 end-user plants. In-depth industrial hygiene surveys were conducted at 4 monomer, 5 polymer, and 2 end-user plants. Airborne exposure concentrations of 1,3-butadiene were determined using personal sampling for each job category. A total of 692 full shift and short-term personnel and 259 area air samples were examined for the presence of 1,3-butadiene. Sample results indicated that all worker exposures were well below the current OSHA PEL of 1000 ppm. Exposures ranged from less than 0.006 ppm to 374 ppm. The average exposure for all samples was less than 2 ppm. The present American Conference of Governmental Industrial Hygienists (ACGIH) threshold limit value for 1,3-butadiene is 10 ppm. To reduce the potential for occupational exposure, it is recommended that quality control sampling be conducted using a closed loop system. Also all process pumps should be retrofitted with dual mechanical seals, magnetic gauges should be used in loading and unloading rail cars, and engineering controls should be designed for safely voiding quality control cylinders.

  8. Microbial Interactions with Several Munitions Compounds: 1,3-Dinitrobenzene, 1,3,5-Trinitrobenzene, and 3,5-Dinitroaniline.

    DTIC Science & Technology

    1982-05-01

    of both 1,3-DNB and 1,3,5-TNB have been noted following their treatment in a two-stage aerated reactor composed of Azotobacter agilis in the first...3,5-DiNA Biosorption studies were conducted with 3-day Standard Methods broth cultures of Azotobacter beijerinckii (ATCC19366), Bacillus cereus...Escherichia coli, Bacillus cereus, Serratia marcescens, and Azotobacter beijerinckil. Bacterial cells were washed by repeated centrifuga- tion and resuspension

  9. Klebsiella pneumoniae 1,3-propanediol:NAD+ oxidoreductase.

    PubMed Central

    Johnson, E A; Lin, E C

    1987-01-01

    Fermentative utilization of glycerol, a more reduced carbohydrate than aldoses and ketoses, requires the disposal of the two extra hydrogen atoms. This is accomplished by sacrificing an equal quantity of glycerol via an auxiliary pathway initiated by glycerol dehydratase. The product, 3-hydroxypropionaldehyde, is then reduced by 1,3-propanediol NAD+:oxidoreductase (1,3-propanediol dehydrogenase; EC 1.1.1.202), resulting in the regeneration of NAD+ from NADH. The pathway for the assimilation of glycerol is initiated by an NAD-linked dehydrogenase. In Klebsiella pneumoniae the two pathways are encoded by the dha regulon which is inducible only anaerobically. In this study 1,3-propanediol:NAD+ oxidoreductase was purified from cells grown anaerobically on glycerol. The enzyme was immunochemically distinct from the NAD-linked glycerol dehydrogenase and was an octamer or hexamer of a polypeptide of 45,000 +/- 3,000 daltons. When tested as a dehydrogenase, only 1,3-propanediol served as a substrate; no activity was detected with ethanol, 1-propanol, 1,2-propanediol, glycerol, or 1,4-butanediol. The enzyme was inhibited by chelators of divalent cations. An enzyme preparation inhibited by alpha,alpha'-dipyridyl was reactivated by the addition of Fe2+ or Mn2+ after removal of the chelator by gel filtration. As for glycerol dehydrogenase, 1,3-propanediol oxidoreductase is apparently inactivated by oxidation during aerobic metabolism, under which condition the enzyme becomes superfluous. Images PMID:3553154

  10. Poly(1,3,4-oxadiazoles) via aromatic nucleophilic displacement

    NASA Technical Reports Server (NTRS)

    Connell, John W. (Inventor); Hergenrother, Paul M. (Inventor); Wolf, Peter (Inventor)

    1992-01-01

    Poly(1,3,4-oxadiazoles) (POX) are prepared by the aromatic nucleophilic displacement reaction of di(hydroxyphenyl) 1,3,4-oxadiazole monomers with activated aromatic dihalides or activated aromatic dinitro compounds. The polymerizations are carried out in polar aprotic solvents such as sulfolane or diphenylsulfone using alkali metal bases such as potassium carbonate at elevated temperatures under nitrogen. The di(hydroxyphenyl) 1,3,4-oxadiazole monomers are synthesized by reacting 4-hydroxybenzoic hydrazide with phenyl 4-hydrobenzoate in the melt and also by reacting aromatic dihydrazides with two moles of phenyl 4-hydroxybenzoate in the melt. This synthetic route has provided high molecular weight POX of new chemical structure, is economically and synthetically more favorable than other routes, and allows for facile chemical structure variation due to the large variety of activated aromatic dihalides which are available.

  11. 1,3,4-oxadiazole derivatives as potential biological agents.

    PubMed

    Sun, Juan; Makawana, Jigar A; Zhu, Hai-Liang

    2013-10-01

    The synthesis of novel compound libraries along with screening is a rapid and effective approach for the discovery of potential chemical agents, and it becomes an important method in pharmaceutical chemistry research. 1,3,4- oxadiazole derivatives as the typical heterocyclic compounds, exhibit a broad spectrum of biological activities and vital leading compounds for the development of chemical drugs. Herein, we focus on the synthesis and screening of novel 1,3,4-oxadiazoles derivatives with antimicrobial, antitumor or antiviral activities during the past decade. In this review, we discussed the synthetic development of 1,3,4-oxadiazoles derivatives, and also the relevant bioactivity and their prospects as the potential chemical drugs.

  12. Electronic structure of 1,3-dioxanes with accepting substituents

    SciTech Connect

    Bresler, I.G.; Akhmatdinov, R.T.; Kantor, E.A.; Rakhmankulov, D.L.

    1987-10-10

    The electronic structure of 1,3-dioxanes with accepting substituents was investigated by photoelectron spectroscopy and the SCF LCAO-MO method in the CNDO/2 approximation. Substituents at positions 2 or 5 reduce the energy of the HOMO of 1,3-dioxane with A' symmetry by 0.4-0.5 eV and the energy of the B1 orbital of A'' symmetry by 0.04-0.15 eV. The HOMO of acceptor-substituted 1,3-dioxanes becomes an orbital of A'' symmetry type. The calculated differences in the energy of the HOMO and the B1 orbital are consistent with the splitting of the first band in the photoelectron spectra.

  13. Assessment of 1,3-butadiene epidemiology studies.

    PubMed Central

    Ott, M G

    1990-01-01

    Positive carcinogenicity studies in mice and rats have led to concerns that 1,3-butadiene may be carcinogenic in humans under exposure conditions that have existed in occupational settings and perhaps exist today. The principal settings of interest are the styrene-butadiene rubber (SBR) manufacturing industry, which uses large quantities of 1,3-butadiene, and the 1,3-butadiene monomer industry. The potential for 1,3-butadiene exposure is highest during monomer transfer operations and is lowest in finishing areas of polymerization plants where the polymer products are processed. Three large cohort mortality studies have been conducted in the SBR and monomer producing industries since 1980. These studies, which examined the mortality experience of over 17,000 men employed in one monomer and 10 SBR facilities, are the subject of this review. All but one of the facilities began operations during the early 1940s. The mortality experience observed within these employee cohorts is comparable to that seen in other long-term studies of men employed in the petroleum, chemical, and rubber industries for all causes of death, total malignant neoplasms, and for the specific cancers seen in excess in the toxicologic studies. This paper discusses discrepant findings observed in more detailed analyses within individual cohorts and among employment subgroups, as well as selected limitations of the particular studies. Additional efforts to refine 1,3-butadiene exposure categories are needed. Within the context of sample size limitations inherent in these studies, there is currently inadequate evidence to establish a relationship between cancer mortality outcomes and 1.3-butadiene exposure in humans. PMID:2205483

  14. Multicomponent, one-pot sequential synthesis of 1,3,5- and 1,3,5,5-substituted barbiturates.

    PubMed

    Volonterio, Alessandro; Zanda, Matteo

    2008-10-03

    Carbodiimides and malonic acid monoethylesters readily react to afford N-acylurea derivatives that could be cyclized in situ by addition of a suitable base. This process represents a general and straightforward one-pot sequential synthesis of 1,3,5-trisubstituted barbiturates in very mild conditions (organic solvent/2 N NaOH aqueous solution, 20 degrees C). Performing the reaction in the presence of an electrophile resulted in the formation of fully substituted (namely, 1,3,5,5-tetrasubstituted) barbiturates through a three-component one-pot sequential process. The latter, however, occurred only with highly reactive electrophiles, such as benzyl and, in some instances, allyl halides. In order to expand the scope of the process, we sought to develop a general method for the C-alkylation of 1,3,5-trisubstituted barbiturates. We found that C-alkylation occurred upon treatment of 1,3,5-trisubstituted barbiturates with an alkyl halide in CH3CN at 120 degrees C in the presence of anhydrous K2CO3 affording the target 1,3,5,5-tetrasubstituted barbiturates in good yields. The multicomponent process was accomplished by combining the three steps in a one-pot sequential fashion, i.e., the condensation of carbodiimides with malonic acid monoethylesters, the cyclization of the resulting N-acylureas, and the C-alkylation of the resulting 1,3,5-substituted barbiturates. A detailed study of the influence of the structure of the reactants on the reaction outcome and mechanism is presented. By selective N'-deprotection of 1,3,5,5-tetrasubstituted barbiturates, the corresponding 1,5,5-trisubstituted barbiturates were also prepared.

  15. Synthesis and Electrochemical Properties Characterization of SnO2-coated LiNi1/3Co1/3Mn1/3O2 Cathode Material for Lithium Ion Batteries

    DTIC Science & Technology

    2009-01-01

    Synthesis and electrochemical properties characterization of SnO2 -coated LiNi1/3Co1/3Mn1/3O2 cathode material for lithium ion batteries Ping Yang...China Key words: Li-ion battery; cathode materials; LiNi1/3Co1/3Mn1/3O2; heterogeneous nucleation; SnO2 -coated; electrochemical performance...Abstract LiNi1/3Co1/3Mn1/3O2 cathode materials have been coated with SnO2 (3% wt) by heterogeneous nucleation process to improve its electrochemical

  16. Electronic structure of substituted 1,3-dioxanes

    SciTech Connect

    Bresler, I.D.; Akhmatdinov, R.T.; Kantor, E.A.; Rakhmankulov, D.L.

    1987-12-20

    The electronic structure of 1,3-dioxane was determined by the CNDO/2, MINDO/3, and MNDO methods, nonempirically on the STO-3GF basis set, and by photoelectron spectroscopy. It was shown that the direction of the acid-catalyzed reactions is determined by the composition and the energy of the HOMO, which is formed by a symmetrical combination of the unshared electron pairs of the oxygen atoms. In 5,5-dimethyl-1,3-dioxane the HOMO is an antisymmetric combination of the unshared electron pairs of the oxygen atoms.

  17. M1.3 - a small scaffold for DNA origami

    NASA Astrophysics Data System (ADS)

    Said, Hassan; Schüller, Verena J.; Eber, Fabian J.; Wege, Christina; Liedl, Tim; Richert, Clemens

    2012-12-01

    The DNA origami method produces programmable nanoscale objects that form when one long scaffold strand hybridizes to numerous oligonucleotide staple strands. One scaffold strand is dominating the field: M13mp18, a bacteriophage-derived vector 7249 nucleotides in length. The full-length M13 is typically folded by using over 200 staple oligonucleotides. Here we report the convenient preparation of a 704 nt fragment dubbed ``M1.3'' as a linear or cyclic scaffold and the assembly of small origami structures with just 15-24 staple strands. A typical M1.3 origami is large enough to be visualized by TEM, but small enough to show a cooperativity in its assembly and thermal denaturation that is reminiscent of oligonucleotide duplexes. Due to its medium size, M1.3 origami with globally modified staples is affordable. As a proof of principle, two origami structures with globally 5'-capped staples were prepared and were shown to give higher UV-melting points than the corresponding assembly with unmodified DNA. M1.3 has the size of a gene, not a genome, and may function as a model for gene-based nanostructures. Small origami with M1.3 as a scaffold may serve as a workbench for chemical, physical, and biological experiments.The DNA origami method produces programmable nanoscale objects that form when one long scaffold strand hybridizes to numerous oligonucleotide staple strands. One scaffold strand is dominating the field: M13mp18, a bacteriophage-derived vector 7249 nucleotides in length. The full-length M13 is typically folded by using over 200 staple oligonucleotides. Here we report the convenient preparation of a 704 nt fragment dubbed ``M1.3'' as a linear or cyclic scaffold and the assembly of small origami structures with just 15-24 staple strands. A typical M1.3 origami is large enough to be visualized by TEM, but small enough to show a cooperativity in its assembly and thermal denaturation that is reminiscent of oligonucleotide duplexes. Due to its medium size, M1.3

  18. Synthesis, molecular structure and vibrational spectra of 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-diones

    NASA Astrophysics Data System (ADS)

    Babjaková, Eva; Dastychová, Lenka; Hanulíková, Barbora; Kuřitka, Ivo; Nečas, Marek; Vašková, Hana; Vícha, Robert

    2015-04-01

    The interest in the oxo-enol tautomerism of 1,3-dioxo compounds is justified by their usefulness in many synthetic fields. A series of new 1,3-bis(1-adamantyl)propan-1,3-diones with a variably substituted phenyl ring at the C2 position was prepared either by the reaction of an appropriate Grignard reagent with adamatane-1-carbonyl chloride or by SEAr on the unsubstituted 1,3-bis(1-adamantyl)-2-phenylpropan-1,3-dione. In addition to the single crystal X-ray diffraction analysis of three of the prepared compounds, the experimental 1H and 13C NMR, IR and Raman spectroscopic data were assigned and compared to those obtained by DFT computations. In the solid state, the syn-dioxo forms were exclusively observed, which are shown to also predominate in CHCl3 solutions. The analysis of the Hirshfeld surface revealed that H⋯H and O⋯H contacts dominate the intermolecular interactions in the solid state, whereas π⋯π stacking plays a marginal role.

  19. Super-Cell Piezoelectric Composite with 1-3 Connectivity.

    PubMed

    Rouffaud, Remi; Levassort, Franck; Phamti, Mai; Bantignies, Claire; Lethiecq, Marc; Hladky-Hennion, Anne-Christine

    2016-09-05

    The standard fabrication method for 1-3 piezocomposites for ultrasound transducers is the « dice and fill » method (DFM) in which lateral periodicity is introduced. This contributes to the appearance of spurious modes which can drastically affect the performance of the device if they appear near its thickness mode frequency, thus limiting the effective frequency range. A new 1-3 piezocomposite fabricated with a super-cell structure (13SC) was designed in order to overcome these limitations. It consists of the merging of several periodic cells with 47% PZT volume fraction and epoxy resin as the matrix. Two lateral periodicities in one direction are defined as well as two different kerfs. The chosen cell shape is composed of five non-aligned square section rods (11mm2). For comparison of performance, two regular 1-3 piezocomposites (same materials and equivalent periodicities) were fabricated by DFM. Electro-acoustic responses in water were measured for the three composites being considered as transducers. Successive regular thinnings (from 2.8 to 1.1 mm) were carried out for each sample to increase the operating frequency (from around 0.4 to 1.3 MHz) and study the evolution of the characteristics (bandwidth and sensitivity). Experimental results confirmed the behavior of those obtained with numerical simulations, showing that the 13SC composite can be used in this entire frequency range, unlike regular composites.

  20. 21 CFR 573.225 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 6 2010-04-01 2010-04-01 false 1,3-Butylene glycol. 573.225 Section 573.225 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) ANIMAL DRUGS, FEEDS, AND RELATED PRODUCTS FOOD ADDITIVES PERMITTED IN FEED AND DRINKING WATER OF ANIMALS Food...

  1. Radical [1,3]-Rearrangements of Breslow Intermediates

    PubMed Central

    Alwarsh, Sefat; Xu, Yi; Qian, Steven

    2015-01-01

    Breslow intermediates that bear radical stabilizing N-substituents including benzyl, cinnamyl, and diarylmethyl undergo facile homolytic C-N bond scission under mild conditions to give products of formal [1,3]-rearrangement rather than benzoin condensation. EPR experiments and computational analysis support a radical mechanism. Implications for thiamine based enzymes are discussed. PMID:26553753

  2. Synthetic Methods for Cyclohexa-1,3-dienes

    NASA Astrophysics Data System (ADS)

    Mironov, V. A.; Fedorovich, A. D.; Akhrem, A. A.

    1983-01-01

    The review gives a systematic account of the methods of synthesis of cyclohexa-1,3-diene, its homologues, and derivatives with functional groups. The purity of the preparations obtained by each method is considered on the basis of modern data. The bibliography includes 221 references.

  3. Diffusion of helium (1); buta-1,3-diene (2)

    NASA Astrophysics Data System (ADS)

    Winkelmann, J.

    This document is part of Subvolume A `Gases in Gases, Liquids and their Mixtures' of Volume 15 `Diffusion in Gases, Liquids and Electrolytes' of Landolt-Börnstein Group IV `Physical Chemistry'. It is part of the chapter of the chapter `Diffusion in Pure Gases' and contains data on diffusion of (1) helium; (2) buta-1,3-diene

  4. Diffusion of buta-1,3-diene (1); air (2)

    NASA Astrophysics Data System (ADS)

    Winkelmann, J.

    This document is part of Subvolume A `Gases in Gases, Liquids and their Mixtures' of Volume 15 `Diffusion in Gases, Liquids and Electrolytes' of Landolt-Börnstein Group IV `Physical Chemistry'. It is part of the chapter of the chapter `Diffusion in Pure Gases' and contains data on diffusion of (1) buta-1,3-diene; (2) air

  5. Cancer risk assessment of 1,3-butadiene.

    PubMed Central

    Cote, I L; Bayard, S P

    1990-01-01

    This paper discusses the Environmental Protection Agency's (EPA) risk assessment of 1,3-butadiene. The assessment focuses on estimation of increased cancer risk to populations living near industrial sources of 1,3-butadiene emissions rather than occupationally exposed populations. Incremental cancer risk estimates based on extrapolation from laboratory animal data are presented. Pharmacokinetic data published since the EPA's 1985 assessment are incorporated, which somewhat alters the earlier assessment of cancer risk. Characterization of emission sources, estimates of ambient air concentrations, and population exposure are also discussed. The estimate presented in this paper of excess cancer cases resulting from point source exposure to 1,3-butadiene is decreased to approximately 40% of the estimate published in 1985 from 6.4 in 10 to 2.5 chances in 10 for a lifetime exposure to 1 ppm. The current estimate is no more than eight additional cancer incidences in the general population. Increased risk to the most exposed individuals is not anticipated to be greater than 1 in 10. This reduction in the risk estimate is due to a change in the estimate of 1,3-butadiene potency (i.e., incremental unit risk estimate) based on incorporation of new pharmacokinetic data. PMID:2205485

  6. Assessing Reading Rate in the Primary Grades (1-3)

    ERIC Educational Resources Information Center

    Morris, Darrell; Trathen, Woodrow; Gill, Tom; Schlagal, Robert; Ward, Devery; Frye, Elizabeth M.

    2017-01-01

    In this study we explore students' reading rates in grades 1-3. We begin with a short history of reading rate as an assessment measure in the early grades. Next, we share rate data from a recent study (N = 305) where children's contextual reading was assessed with a traditional passage-reading inventory. A comparison of our average grade-level…

  7. 31 CFR 1.3 - Publication in the Federal Register.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 31 Money and Finance: Treasury 1 2012-07-01 2012-07-01 false Publication in the Federal Register... RECORDS Freedom of Information Act § 1.3 Publication in the Federal Register. (a) Requirement. Subject to...), separately state, publish and maintain current in the Federal Register for the guidance of the public...

  8. 31 CFR 1.3 - Publication in the Federal Register.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 31 Money and Finance: Treasury 1 2011-07-01 2011-07-01 false Publication in the Federal Register... RECORDS Freedom of Information Act § 1.3 Publication in the Federal Register. (a) Requirement. Subject to...), separately state, publish and maintain current in the Federal Register for the guidance of the public...

  9. 31 CFR 1.3 - Publication in the Federal Register.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 31 Money and Finance: Treasury 1 2014-07-01 2014-07-01 false Publication in the Federal Register... RECORDS Freedom of Information Act § 1.3 Publication in the Federal Register. (a) Requirement. Subject to...), separately state, publish and maintain current in the Federal Register for the guidance of the public...

  10. 31 CFR 1.3 - Publication in the Federal Register.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 31 Money and Finance: Treasury 1 2013-07-01 2013-07-01 false Publication in the Federal Register... RECORDS Freedom of Information Act § 1.3 Publication in the Federal Register. (a) Requirement. Subject to...), separately state, publish and maintain current in the Federal Register for the guidance of the public...

  11. [1,3-beta-Glucanases of actinomycetes].

    PubMed

    Tiunova, N A; Kobzeva, N Ia; Zaĭkina, I V; Eliakova, L A; Nazarova, N I

    1983-01-01

    Different actinomyces species (25 strains) were studied and Actinomyces cellulosae 41 was found to be the most active one in its capacity to cause lysis of Saccharomyces cerevisiae intact cells as well as in the production of 1,3-beta-glucanase. The enzyme preparation containing 1,3-beta-glucanase can be obtained from the filtrate of the actinomycete cultural broth after 60 h of growth by precipitation with four volumes of ethanol. The optimal pH for the action of 1,3-beta-glucanase from A. cellulosae is 5.5. Hydrolysis of laminarin (5 mg of the substrate) yields 2.4 mg of reducing sugars or 13.3 microM (recalculated per glucose). There is a direct correlation between the amount of produced reducing sugars and the enzyme concentration up to 10 microM/ml (recalculated per glucose). The enzyme hydrolysate contains glucose and oligosaccharides with a different degree of polymerization. Therefore, the enzyme is endo-1,3-beta-glucanase. It produces less quantities of the disaccharide than those of glucose and trisaccharide. The enzyme yields only traces of glucose upon prolonged hydrolysis of p-nitrophenyl-beta-D-glucoside (PNPG) and shows a weak capacity for transglycosylation when laminarin is used as a donor and PNPG as an acceptor.

  12. 48 CFR 970.2201-1-3 - Contract clause.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ..., the contracting officer shall insert the clause at 970.5222-1, Collective Bargaining Agreements... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Contract clause. 970.2201... SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Application of Labor Policies 970.2201-1-3...

  13. 48 CFR 970.2201-1-3 - Contract clause.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ..., the contracting officer shall insert the clause at 970.5222-1, Collective Bargaining Agreements... 48 Federal Acquisition Regulations System 5 2011-10-01 2011-10-01 false Contract clause. 970.2201... SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Application of Labor Policies 970.2201-1-3...

  14. Fenton oxidation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

    PubMed

    Zoh, Kyung-Duk; Stenstrom, Michael K

    2002-03-01

    Oxidation of the high explosives hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1.3,5,7-tetrazocine (HMX) using Fenton's reagent proceeds rapidly between 20 degrees C and 50 degrees C at pH 3. At an H2O2: Fe2+: RDX molar ratio of 5,178: 48: 1, RDX and HMX were completely removed in 1 to 2 h. All the experimental data could be fit to a pseudo first-order rate equation. The reaction rate was also strongly dependent on Fenton's reagent concentrations. NO3- and N2 were identified as nitrogen byproducts from RDX and HMX oxidation. The experiment with radiolabeled RDX showed that approximately 37% of organic carbon in RDX was mineralized to CO2. We observed formaldehyde and formic acid as a short-lived intermediate. No other volatile or nonvolatile byproducts were found from GC/MS analysis. The results show that RDX and HMX can be effectively mineralized with Fenton's reagents.

  15. 21 CFR 173.220 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false 1,3-Butylene glycol. 173.220 Section 173.220 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION Solvents, Lubricants, Release Agents and...

  16. 43 CFR 3440.1-3 - Limitations on coal use.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 2 2012-10-01 2012-10-01 false Limitations on coal use. 3440.1-3 Section...-3 Limitations on coal use. (a) A license to mine may be issued to a municipality for the nonprofit mining and disposal of coal to its residents for household use only. Under such a license, a...

  17. 43 CFR 3440.1-3 - Limitations on coal use.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false Limitations on coal use. 3440.1-3 Section...-3 Limitations on coal use. (a) A license to mine may be issued to a municipality for the nonprofit mining and disposal of coal to its residents for household use only. Under such a license, a...

  18. 43 CFR 3440.1-3 - Limitations on coal use.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 2 2011-10-01 2011-10-01 false Limitations on coal use. 3440.1-3 Section...-3 Limitations on coal use. (a) A license to mine may be issued to a municipality for the nonprofit mining and disposal of coal to its residents for household use only. Under such a license, a...

  19. 43 CFR 3440.1-3 - Limitations on coal use.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 43 Public Lands: Interior 2 2014-10-01 2014-10-01 false Limitations on coal use. 3440.1-3 Section...-3 Limitations on coal use. (a) A license to mine may be issued to a municipality for the nonprofit mining and disposal of coal to its residents for household use only. Under such a license, a...

  20. 21 CFR 172.712 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false 1,3-Butylene glycol. 172.712 Section 172.712 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD FOR HUMAN CONSUMPTION (CONTINUED) FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION...

  1. 21 CFR 172.712 - 1,3-Butylene glycol.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false 1,3-Butylene glycol. 172.712 Section 172.712 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Other Specific Usage Additives § 172...

  2. 43 CFR 9239.1-3 - Measure of damages.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... MANAGEMENT, DEPARTMENT OF THE INTERIOR TECHNICAL SERVICES (9000) TRESPASS Kinds of Trespass § 9239.1-3... the case of a purchase from a trespasser, if the purchaser has no knowledge of the trespass, but should have had such knowledge through reasonable diligence, the value at the time of the purchase....

  3. 43 CFR 9239.1-3 - Measure of damages.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 2 2011-10-01 2011-10-01 false Measure of damages. 9239.1-3 Section 9239... Measure of damages. (a) Unless State law provides stricter penalties, in which case the State law shall...) The provisions of paragraph (a) of this section shall not be deemed to limit the measure of damages...

  4. 43 CFR 9239.1-3 - Measure of damages.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false Measure of damages. 9239.1-3 Section 9239... Measure of damages. (a) Unless State law provides stricter penalties, in which case the State law shall...) The provisions of paragraph (a) of this section shall not be deemed to limit the measure of damages...

  5. 43 CFR 9239.1-3 - Measure of damages.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 2 2012-10-01 2012-10-01 false Measure of damages. 9239.1-3 Section 9239... Measure of damages. (a) Unless State law provides stricter penalties, in which case the State law shall...) The provisions of paragraph (a) of this section shall not be deemed to limit the measure of damages...

  6. Synthesis of 1,3-Amino Alcohols, 1,3-Diols, Amines, and Carboxylic Acids from Terminal Alkynes.

    PubMed

    Zeng, Mingshuo; Herzon, Seth B

    2015-09-04

    The half-sandwich ruthenium complexes 1-3 activate terminal alkynes toward anti-Markovnikov hydration and reductive hydration under mild conditions. These reactions are believed to proceed via addition of water to metal vinylidene intermediates (4). The functionalization of propargylic alcohols by metal vinylidene pathways is challenging owing to decomposition of the starting material and catalytic intermediates. Here we show that catalyst 2 can be employed to convert propargylic alcohols to 1,3-diols in high yield and with retention of stereochemistry at the propargylic position. The method is also amenable to propargylic amine derivatives, thereby establishing a route to enantioenriched 1,3-amino alcohol products. We also report the development of formal anti-Markovnikov reductive amination and oxidative hydration reactions to access linear amines and carboxylic acids, respectively, from terminal alkynes. This chemistry expands the scope of products that can be prepared from terminal alkynes by practical and high-yielding metal-catalyzed methods.

  7. Vapor-liquid equilibria of the water + 1,3-propanediol and water + 1,3-propanediol + lithium bromide systems

    SciTech Connect

    Mun, S.Y.; Lee, H.

    1999-12-01

    Vapor-liquid equilibrium data of the water + 1,3-propanediol and water + 1,3-propanediol + lithium bromide systems were measured at 60, 160, 300, and 760 mmHg at temperatures ranging from 315 to 488 K. The apparatus used in this work is a modified still especially designed for the measurement of low-pressure VLE, in which both liquid and vapor are continuously recirculated. For the analysis of salt-containing solutions, a method incorporating refractometry and gravimetry was used. From the experimental measurements, the effect of lithium bromide on the VLE behavior of water + 1,3-propanediol was investigated. The experimental data of the salt-free system were successfully correlated using the Wilson, NRTL, and UNIQUAC models. In addition, the extended UNIQUAC model of Sander et al. was applied to the VLE calculation of salt-containing mixtures.

  8. Crystal structure of benzene-1,3,5-tri-carb-oxy-lic acid-4-pyridone (1/3).

    PubMed

    Staun, Selena L; Oliver, Allen G

    2015-11-01

    Slow co-crystallization of a solution of benzene-1,3,5-tri-carb-oxy-lic acid with a large excess of 4-hy-droxy-pyridine produces an inter-penetrating, three-dimensional, hydrogen-bonded framework consisting of three 4-pyridone and one benzene-1,3,5-tri-carb-oxy-lic acid mol-ecules, C9H6O6·3C5H5NO. This structure represents an ortho-rhom-bic polymorph of the previously reported C-centered, monoclinic structure [Campos-Gaxiola et al. (2014 ▸). Acta Cryst. E70, o453-o454].

  9. Exact diagonalization study of ν = 1 / 3 + 1 / 3 bilayer quantum Hall in search of Fibonnacci anyons

    NASA Astrophysics Data System (ADS)

    Kim, Eun-Ah; Vaezi, Abolhassan; Lee, Kyungmin

    2015-03-01

    Non-abelian states with Fibonnacci anyons that can support universal topological quantum computation have been elusive. Recently it has been proposed that a remarkably simple setting of Abelian quantum Hall bilayer could support an exotic state with Fibonnacci anyons (Vaezi and Barkeshli, arXiv:1403.3383). Here we explore ν = 1 / 3 + 1 / 3 bilayer quantum Hall system considering different possibilities for interaction between bilayers using exact diagonalization. We find a sizable region in phase space potentially exhibiting topological degeneracy expected of Fibonnacci anyon states. This work has been supported by NSF CAREER with Grant Number DMR-0955822.

  10. Effect of Co content on performance of LiAl 1/3- xCo xNi 1/3Mn 1/3O 2 compounds for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Hu, Shao-Kang; Chou, Tse-Chuan; Hwang, Bing-Joe; Ceder, Gerbrand

    Layered LiAl 1/3- xCo xNi 1/3Mn 1/3O 2 (0 ≦ x ≦ 1/3) compounds were studied via the combination of computational and experimental approach. The calculated voltage curve of LiNi 1/3Al 1/3Mn 1/3O 2 compound is presented, indicating it is of great potential for a cathode material of lithium-ion batteries. Unfortunately, it was found that the LiNi 1/3Al 1/3Mn 1/3O 2 compound without impurity phase could not be synthesized via a sol-gel process. To obtain a layered compound without impurity phase, partial of Al is replaced by Co in LiNi 1/3Al 1/3Mn 1/3O 2 compound in this study. Layered LiAl 1/3- xCo xNi 1/3Mn 1/3O 2 (0 ≦ x ≦ 1/3) compounds were synthesized via sol-gel reaction at 900 °C under a oxygen stream. Single phase of the LiAl 1/3- xCo xNi 1/3Mn 1/3O 2 in 1/6 ≦ x ≦ 1/3 region could be prepared successfully. The discharge capacity and conductivity increased with an increase in the Co-substitution content. The enhancement of the conductivity and phase purity by the introduction of Co content shows profound influence on the performance of the LiAl 1/3- xCo xNi 1/3Mn 1/3O 2 compounds.

  11. Performance characterization of the MiniVol PM{sub 2.5} sampler

    SciTech Connect

    Hill, J.S.; Patel, P.D.; Turner, J.R.

    1999-07-01

    Measurements were conducted to assess the MiniVol PM{sub 2.5} sampler performance for various particle preseparator configurations including flat and cup impaction stages. Laboratory measurements were conducted to determine the impactor collection efficiency as a function of particle size. Impactor cut points--the aerodynamic particle diameter exhibiting 50% collection efficiency--were 2.5 mm ({approximately} 10%) for the flat stage and 3.0 mm for the cup stage. Collection efficiency curves for cascade (tandem) impactor configurations (PM{sub 10} followed by PM{sub 2.5}) generally agreed with the single stage results. In all cases the collection efficiency curves exhibited the classical sigmoidal shape, albeit less steep than required for PM{sub 2.5} Federal Reference Method (FRM) samplers. Field data were collected at urban sites in St. Louis using MiniVol samplers collocated with a PM{sub 2.5} FRM sampler to quantify the MiniVol sampler precision and accuracy. Collocated sampler precision was 6% and 10% for MiniVol cascade impactors with flat PM{sub 2.5} stages and cup PM{sub 2.5} stages, respectively (N = 31). Both of these MiniVol configurations were deemed statistically equivalent to the FRM when the reported ambient mass concentrations were corrected for field blank values (N = 15).

  12. VLA observations of Uranus at 1. 3-20 cm

    SciTech Connect

    De Pater, I.; Gulkis, S.

    1988-08-01

    Observations of Uranus, obtained with resolution 0.5-1.2 arcsec at wavelengths 1.3, 2, 6, and 20 cm using the A and B configurations of the VLA in June-July 1982, October 1983, and February 1984, are reported. The disk-averaged brightness temperatures (DABTs) are determined by model fitting, and the results are presented in extensive graphs and contour maps and characterized in detail. Findings discussed include: (1) an overall spectrum which is relatively flat above 6 cm, (2) 1.3-6-cm brightness which is concentrated nearer to the pole than to the subsolar point, and (3) small changes in DABT from 1982 to 1983/1984 (consistent with an explanation based on a pole-equator temperature gradient). 16 references.

  13. Manufacturing of 1-3 piezocomposite SonoPanel transducers

    NASA Astrophysics Data System (ADS)

    Gentilman, Richard L.; Fiore, Daniel; Pham-Nguyen, Hong; Serwatka, William J.; Bowen, Leslie J.

    1995-05-01

    A manufacturing capability has been established for 1-3 PZT-polymer composite materials and transducers. Uniform arrays of identical PZT rods are formed by a cost-effective ceramic injection molding process. Sintered and poled 1-3 ceramic preforms, containing 361 PZT rods 1.1 mm diameter on a 50 mm square base plate, are arranged to produce 15 or 30 PZT volume percent composite materials with a hard or soft polymeric matrix. More than 2000 identical PZT preforms were produced and more than thirty 250 mm square SonoPanel transducers have been manufactured. The transducers have been found to be well suited for a variety of underwater acoustic applications. Fifteen SonoPanels have been incorporated into a 3 X 5 array as part of a Navy system demonstration.

  14. [1,3-Bis(diphenylphosphino)propane]trichlorooxorhenium(V).

    PubMed

    Suescun, L; Mombrú, A W; Mariezcurrena, R A; Pardo, H; Russi, S; Kremer, C; Rivero, M; Kremer, E

    2000-08-01

    Trichlorooxo[1,3-propanediylbis(diphenylphosphine)-P,P ']rhenium(V), [ReCl(3)O(C(27)H(26)P(2))], crystallizes with four formula units per unit cell. The crystal structure consists of neutral complexes of [ReOCl(3)(dppp)] [dppp is 1,3-bis(diphenylphosphino)propane] packed by H.pi-ring interactions. The Re atom is octahedrally coordinated to the oxo anion, three Cl atoms and two P atoms from the dppp ligand. The six-membered ring formed by the bidentate dppp ligand and the rhenium metal centre is in a chair conformation. The title compound is an intermediate in the synthesis of bis(dppp) complexes of rhenium.

  15. Shock initiation of 1,3,3-trinitroazetidine (TNAZ)

    SciTech Connect

    Simpson, R.L.; Urtiew, P.A.; Tarver, C.M.

    1995-07-19

    The shock sensitivity of the pressed solid explosive 1,3,3-trinitroazetidine (TNAZ) was determined using the embedded manganin pressure gauge technique. At an initial pressure of 1.3 GPa, pressure buildup (exothermic reaction) was observed after ten {mu}s. At 2 GPa, TNAZ reacted rapidly and transitioned to detonation in approximately 13 mm. At 3.6 GPa, detonation occurred in less than 6 mm of shock propagation. Thus, pure TNAZ is more shock sensitive than HMX-based explosives but less shock sensitive than PETN-based explosives. The shocked TNAZ exhibited little reaction directly behind the shock front, followed by an extremely rapid reaction. This reaction caused both a detonation wave and a retonation wave in the partially decomposed TNAZ. An Ignition and Growth reactive model for TNAZ was developed to help understand this complex initiation phenomenon.

  16. Shock initiation of 1,3,3-trinitroazetidine (TNAZ)

    SciTech Connect

    Simpson, R.L.; Urtiew, P.A.; Tarver, C.M.

    1996-05-01

    The shock sensitivity of the pressed solid explosive 1,3,3-trinitroazetidine (TNAZ) was determined using the embedded manganin pressure gauge technique. At an initial pressure of 1.3 GPa, pressure buildup (exothermic reaction) was observed after ten {mu}s. At 2 GPa, TNAZ reacted rapidly and transitioned to detonation in approximately 13 mm. At 3.6 GPa, detonation occurred in less than 6 mm of shock propagation. Thus, pure TNAZ is more shock sensitive than HMX-based explosives but less shock sensitive than PETN-based explosives. The shocked TNAZ exhibited little reaction directly behind the shock front, followed by an extremely rapid reaction. This reaction caused both a detonation wave and a retonation wave in the partially decomposed TNAZ. An Ignition and Growth reactive flow model for TNAZ was developed to help explain this complex initiation phenomenon. {copyright} {ital 1996 American Institute of Physics.}

  17. Regiodivergent and Stereoselective Hydrosilylation of 1,3-Disubstituted Allenes.

    PubMed

    Miller, Zachary D; Dorel, Ruth; Montgomery, John

    2015-07-27

    Methods for the highly stereoselective and regiodivergent hydrosilylation of 1,3-disubstituted allenes have been developed. The synthesis of E allylsilanes is accomplished with palladium NHC catalysts, and trisubstituted Z alkenylsilanes are accessed with nickel NHC catalysts. Unsymmetrically substituted allenes are well tolerated with nickel catalysis and afford Z alkenylsilanes. Evidence for a plausible mechanism was obtained through an isotopic double-labeling crossover study.

  18. Dendrimers Based on [1,3,5]-Triazines

    PubMed Central

    STEFFENSEN, MACKAY B.; HOLLINK, EMILY; KUSCHEL, FRANK; BAUER, MONIKA; SIMANEK, ERIC E.

    2009-01-01

    A comprehensive and chronological account of dendrimers based on [1,3,5]-triazines is provided. Synthetic strategies to install the triazine through cycloaddition, cyclotrimerization, and nucleophilic aromatic substitution of cyanuric chloride are discussed. Motivations and applications of these architectures are surveyed, including the preparation of supra-molecular assemblies in the solution and solid states and their use in medicines, advanced materials, and separations when anchored to solid supports. PMID:19953202

  19. 1,3,6,8-Tetranitrocarbazole (TNC) Synthesis and Optimization

    DTIC Science & Technology

    2013-03-01

    Specification MIL-T-13 11 Distribution List 25 FIGURES 1 Carbazole added to sulphuric acid , heated till carbazole becomes sulfonated 1 2 Three-stage...1,3,6,8-TETRANITROCABAZOLE The TNC has traditionally been synthesized with a mixed acid system of sulphuric acid and nitric acid . The carbazole...is added to the sulphuric acid and heated until the carbazole becomes fully sulfonated (fig. 1). Then nitric acid is added to the mixture and

  20. CMMI(Registered) for Services, Version 1.3

    DTIC Science & Technology

    2010-11-01

    scenario planning, SWOT , and needs analysis Market research techniques Product planning and management Portfolio management Marketing...the measurement and analysis of the process and technology improvement Expected life span of the improvement CMMI for Services, Version 1.3...agreement’s life . The service agreement is not a static artifact. It is dynamic and must be adjustable because the ongoing analysis of service data and

  1. 1-3 piezocomposite smart panels for active surface control

    NASA Astrophysics Data System (ADS)

    Gentilman, Richard L.; Fiore, Daniel; Pham-Nguyen, Hong; Serwatka, William J.; Pazol, Brian G.; Near, Craig D.; McGuire, Patrick T.; Bowen, Leslie J.

    1996-05-01

    A cost-effective technology has been developed for producing 1-3 piezoelectric ceramic/polymer composites for active surface control. SonoPanelTM 1-3 piezocomposite transducers consist of an array of piezoelectric ceramic rods in a polymer matrix. Stiff face plates are bonded to the composite for stress amplification when used as a sensor and to enhance surface response uniformity when used as an actuator. Many piezocomposite design variations have been produced for specific applications. The key technology in SonoPanelTM manufacturing is the PZT ceramic injection molding process. Using this process, an entire array of piezoelectric ceramic rods are molded in one operation using specially designed tooling. Injection molded PZT preforms are formed at a rate of one per minute. Several thousand components with excellent piezoelectric properties and part-to-part reproducibility have been manufactured to date. The piezocomposite fabrication process has been scaled up for low volume manufacturing. More than thirty 250 X 250 mm SonoPanelTM transducers have been produced and evaluated. The transducers show high receiving voltage sensitivity and transmitting voltage response as well as symmetrical beam patterns. Next generation SonoPanelTM transducers, with materials and designs optimized for Navy systems, are under development, including advanced panels for active surface control. The devices incorporate actuators, pressure sensors, and velocity sensors--all made from 1-3 composite materials--into an autonomous smart panel.

  2. Harvesting ultrasonic energy using 1-3 piezoelectric composites

    NASA Astrophysics Data System (ADS)

    Yang, Zengtao; Zeng, Deping; Wang, Hua; Zhao, Chunliang; Tan, Jianwen

    2015-07-01

    Harvesting longitudinal ultrasonic energy from the surroundings has been highlighted as an alternative to conventional batteries. The energy can be used to power portable electronics and wireless sensors operating at remote locations. In this paper, an ultrasonic energy harvester made of a 1-3 piezoelectric composite is proposed. This harvester could convert longitudinal-mode ultrasonic vibrations into electrical energy. A theoretical analysis of a 1-3 piezoelectric composite harvester operating with thickness-stretch modes is performed. The results show that maximum output power dissipated in the load can be achieved when the load resistor is equal to the impedance of the harvester. Under such conditions, two peaks of maximum output power occur at the antiresonance frequency and resonance frequency. An experimental study following the theoretical model confirms the feasibility of extracting certain amounts of ultrasonic vibration energy using a 1-3 piezoelectric composite harvester. Both the experimental and theoretical studies show that the output voltages for different pure resistive loads peak at different operating frequencies. As the pure resistive load increases, the operating frequency varies from the resonance frequency to the antiresonance frequency.

  3. Transacetylation of 1,3-dioxa-2-silacycloalkanes by diols

    SciTech Connect

    Nedogrel, E.P.; Musavirov, R.S.; Zhurkina, I.P.; Kantor, E.A.; Rakhmankulov, D.L.

    1988-10-10

    The authors studied the reaction of 1,3-dioxa-2-silacyclohexanes with diols and pentaerythritol leading to a new pair of compounds, 1,3-dioxa-2-silacycloalkane-diol. The reaction reaches equilibrium in a few minutes at room temperature. The conversion of the initial compounds usually reaches 25-45%. Increase in temperature to 80-100/sup 0/C increases the conversion of the initial reagents by 20-26% but leads to decrease in the concentration of the end products, possibly because of increase in the role of the polymerization processes. The reaction of 1,3-dioxa-2-silacycloalkanes with diols at 16-20/sup 0/C in the presence of acid catalysts leads to a new pair of compounds and is a convenient method for introducing substituents into different positions of the ring and changing the number of units in the ring. In contrast to the carbon analogs, the organosilicon acetals do not react with pentaerythritol.

  4. Biodegradation of the nitramine explosives hexahydro-1,3,5-trinitro-1,3,5-triazine and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in cold marine sediment under anaerobic and oligotrophic conditions.

    PubMed

    Zhao, Jian-Shen; Greer, Charles W; Thiboutot, Sonia; Ampleman, Guy; Hawari, Jalal

    2004-02-01

    The in situ degradation of the two nitramine explosives, hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX), was evaluated using a mixture of RDX and HMX, incubated anaerobically at 10 degrees C with marine sediment from a previous military dumping site of unexploded ordnance (UXO) in Halifax Harbor, Nova Scotia, Canada. The RDX concentration (14.7 mg.L-1) in the aqueous phase was reduced by half in 4 days, while reduction of HMX concentration (1.2 mg.L-1) by half required 50 days. Supplementation with the carbon sources glucose, acetate, or citrate did not affect the removal rate of RDX but improved removal of HMX. Optimal mineralization of RDX and HMX was obtained in the presence of glucose. Using universally labeled (UL)-[14C]RDX, we obtained a carbon mass balance distributed as follows: CO2, 48%-58%; water soluble products, 27%-31%; acetonitrile extractable products, 2.0%-3.4%; and products covalently bound to the sediments and biomass, 8.9% (in the presence of glucose). The disappearance of RDX was accompanied by the formation of the mononitroso derivative hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and formaldehyde (HCHO) that subsequently disappeared. In the case of HMX, mineralization reached only 13%-27% after 115 days of incubation in the presence or absence of the carbon sources. The disappearance of HMX was also accompanied by the formation of the mononitroso derivative. The total population of psychrotrophic anaerobes that grew at 10 degrees C was 2.6 x 10(3) colony-forming units.(g sediment dry mass)-1, and some psychrotrophic sediment isolates were capable of degrading RDX under conditions similar to those used for sediments. Based on the distribution of products, we suggest that the sediment microorganisms degrade RDX and HMX via an initial reduction to the corresponding mononitroso derivative, followed by denitration and ring cleavage.

  5. Influence of electrolyte additives on the cathode electrolyte interphase (CEI) formation on LiNi1/3Mn1/3Co1/3O2 in half cells with Li metal counter electrode

    NASA Astrophysics Data System (ADS)

    Qian, Yunxian; Niehoff, Philip; Börner, Markus; Grützke, Martin; Mönnighoff, Xaver; Behrends, Pascal; Nowak, Sascha; Winter, Martin; Schappacher, Falko M.

    2016-10-01

    Traditional solid electrolyte interphase (SEI) forming additives of vinylene carbonate (VC), fluoroethylene carbonate (FEC) and ethylene sulfite (ES) are studied with respect to their impact on the formation and growth of the cathode electrolyte interphase (CEI) layer. T-half cells are assembled and undergo three different electrochemical investigation plans: after formation (0.1C, 5 cycles) and long term cycling (0.1C, 5 constant current cycles + 1C, 100/150 constant current/voltage cycles), scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and gas chromatography-mass spectrometry (GC-MS) are combined to investigate morphology, CEI composition, CEI thickness and aging products for cells with different electrolyte systems. The obtained results reveal a significant influence of these additives on the CEI composition and CEI growth. With the help of SEM, it is found that large areas of electrolyte decomposition products are formed at the aged electrode surfaces (=after cycling), with the exception when 2 vol% of FEC is added into the reference electrolyte. From XPS measurements, CEI thicknesses are calculated. The reference electrolyte with 2 vol% of FEC shows the thinnest layer after long time aging (0.8 ± 0.2 nm). For the addition of 2 vol% of VC, an incremental growth of the CEI thickness occurs from the 100th to 150th cycle (from 1.0 ± 0.1 nm to 2.9 ± 0.4 nm). By correlating the CEI thickness values with the electrochemical performance, it can be observed that for lithium metal based half cells, the existence of a thinner CEI layer corresponds to a better cycling behavior, with 2 vol% of FEC showing the highest discharge capacity of 114.4 ± 0.2 mAh/g after 150 cycles at 1C. GC-MS shows that both VC and FEC help to prevent fast electrolyte aging.

  6. The longstanding challenge of the nanocrystallization of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX)

    PubMed Central

    Spitzer, Denis

    2017-01-01

    Research efforts for realizing safer and higher performance energetic materials are continuing unabated all over the globe. While the thermites – pyrotechnic compositions of an oxide and a metal – have been finely tailored thanks to progress in other sectors, organic high explosives are still stagnating. The most symptomatic example is the longstanding challenge of the nanocrystallization of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). Recent advances in crystallization processes and milling technology mark the beginning of a new area which will hopefully lead the pyroelectric industry to finally embrace nanotechnology. This work reviews the previous and current techniques used to crystallize RDX at a submicrometer scale or smaller. Several key points are highlighted then discussed, such as the smallest particle size and its morphology, and the scale-up capacity and the versatility of the process. PMID:28326236

  7. Chemical properties of 1,3-bis(3-methacryloxypropyl)-1,1,3,3-tetramethyldisiloxane-methyl methacrylate copolymer.

    PubMed

    Aoyagi, Yujin; Umemoto, Kozo; Kurata, Shigeaki

    2012-01-01

    This study evaluated the chemical properties such as water sorption, water solubility and solvent resistance of a new resin material consisting of 1,3-bis(3-methacryloxypropyl)-1,1,3,3-tetramethyldisiloxane (BMPMS) and methyl methacrylate (MMA). Water sorption was evaluated by immersing the specimens in water at 37±1°C for 1 week, water solubility was evaluated by keeping the specimens in a desiccator under dry conditions at 37±1°C until the weight became constant, and solvent resistance was evaluated by immersing the specimens in acetone for 1 week and measuring the dissolved weight of acetone volatilized from those liquids. The water sorption and solvent resistance of the new resin were improved with increasing amount of BMPMS, whereas the water solubility remained the same value and did not depend on the amount of BMPMS.

  8. Lateral Transfer of Genes for Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) Degradation▿ †

    PubMed Central

    Andeer, Peter F.; Stahl, David A.; Bruce, Neil C.; Strand, Stuart E.

    2009-01-01

    Recent studies demonstrated that degradation of the military explosive hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by species of Rhodococcus, Gordonia, and Williamsia is mediated by a novel cytochrome P450 with a fused flavodoxin reductase domain (XplA) in conjunction with a flavodoxin reductase (XplB). Pulse field gel analysis was used to localize xplA to extrachromosomal elements in a Rhodococcus sp. and distantly related Microbacterium sp. strain MA1. Comparison of Rhodococcus rhodochrous 11Y and Microbacterium plasmid sequences in the vicinity of xplB and xplA showed near identity (6,710 of 6,721 bp). Sequencing of the associated 52.2-kb region of the Microbacterium plasmid pMA1 revealed flanking insertion sequence elements and additional genes implicated in RDX uptake and degradation. PMID:19270122

  9. Crystal structure of 2-(1,3-dioxoindan-2-yl)iso-quinoline-1,3,4-trione.

    PubMed

    Ghalib, Raza Murad; Chidan Kumar, C S; Hashim, Rokiah; Sulaiman, Othman; Fun, Hoong-Kun

    2015-01-01

    In the title iso-quinoline-1,3,4-trione derivative, C18H9NO5, the five-membered ring of the indane fragment adopts an envelope conformation with the nitro-gen-substituted C atom being the flap. The planes of the indane benzene ring and the iso-quinoline-1,3,4-trione ring make a dihedral angle of 82.06 (6)°. In the crystal, mol-ecules are linked into chains extending along the bc plane via C-H⋯O hydrogen-bonding inter-actions, enclosing R 2 (2)(8) and R 2 (2)(10) loops. The chains are further connected by π-π stacking inter-ations, with centroid-to-centroid distances of 3.9050 (7) Å, forming layers parallel to the b axis.

  10. Stationary table CT dosimetry and anomalous scanner-reported values of CTDI{sub vol}

    SciTech Connect

    Dixon, Robert L.; Boone, John M.

    2014-01-15

    Purpose: Anomalous, scanner-reported values of CTDI{sub vol} for stationary phantom/table protocols (having elevated values of CTDI{sub vol} over 300% higher than the actual dose to the phantom) have been observed; which are well-beyond the typical accuracy expected of CTDI{sub vol} as a phantom dose. Recognition of these outliers as “bad data” is important to users of CT dose index tracking systems (e.g., ACR DIR), and a method for recognition and correction is provided. Methods: Rigorous methods and equations are presented which describe the dose distributions for stationary-table CT. A comparison with formulae for scanner-reported values of CTDI{sub vol} clearly identifies the source of these anomalies. Results: For the stationary table, use of the CTDI{sub 100} formula (applicable to a moving phantom only) overestimates the dose due to extra scatter and also includes an overbeaming correction, both of which are nonexistent when the phantom (or patient) is held stationary. The reported DLP remains robust for the stationary phantom. Conclusions: The CTDI-paradigm does not apply in the case of a stationary phantom and simpler nonintegral equations suffice. A method of correction of the currently reported CTDI{sub vol} using the approach-to-equilibrium formula H(a) and an overbeaming correction factor serves to scale the reported CTDI{sub vol} values to more accurate levels for stationary-table CT, as well as serving as an indicator in the detection of “bad data.”.

  11. Bistabilities in 1,3,2-dithiazolyl radicals.

    PubMed

    Brusso, Jaclyn L; Clements, Owen P; Haddon, Robert C; Itkis, Mikhail E; Leitch, Alicea A; Oakley, Richard T; Reed, Robert W; Richardson, John F

    2004-07-07

    New synthetic methods for heterocyclic 1,3,2-dithiazolyl (DTA) radicals have been developed, and trends in the molecular spin distributions and electrochemical properties of a series of DTA radicals are reported. The crystal structures of [1,2,5]thiadiazolo[3,4-f][1,3,2]benzodithiazol-2-yl (TBDTA) and [1,3,2]pyrazinodithiazol-2-yl (PDTA) have been determined. The structure of TBDTA (at 293 and 95 K) contains two molecules in the asymmetric unit, each of which generates pi-stacked arrays, one consisting of antiparallel chains of centrosymmetrically associated dimers, the other comprising parallel chains of unassociated radicals. The structure of PDTA (at 293 and 95 K) is simpler, consisting of slipped stacks of pi-dimers. Variable-temperature magnetic susceptibility (chi(P)) measurements on TBDTA indicate essentially paramagnetic behavior for the unassociated radical pi-stacks over the range 5-400 K. By contrast PDTA is diamagnetic at all temperatures below 300 K, but between 300 and 350 K the value of chi(P) follows a sharp and well-defined hysteresis loop, with T(C) downward arrow = 297 K and T(C) upward arrow = 343 K. These features are symptomatic of a regime of bistability involving the observed low temperature pi-dimer structure and a putative high-temperature radical pi-stack. A mechanism for the interconversion of the two phases of PDTA and related structures is proposed in which hysteretic behavior arises from cooperative effects associated with the breaking and making of a lattice-wide network of intermolecular S- - -N' and/or S- - -S' interactions.

  12. Cobalt-Catalysed Asymmetric Hydrovinylation of 1,3-Dienes

    PubMed Central

    Timsina, Yam N.; Sharma, Rakesh K.

    2015-01-01

    In the presence of bidentate 1,n-bis-diphenylphosphinoalkane-CoCl2 complexes {Cl2Co[P~P]} and Me3Al or methylaluminoxane, acyclic (E)-1,3-dienes react with ethylene (1 atmosphere) to give excellent yields of hydrovinylation products. The regioselectivity (1,4- or 1,2-addition) and the alkene configuration (E- or Z-) of the resulting product depend on the nature of the ligand and temperature at which the reaction is carried out. Cobalt(II)-complexes of 1,1-diphenylphosphinomethane and similar ligands with narrow bite angles give mostly 1,2-addition, retaining the E-geometry of the original diene. Complexes of most other ligands at low temperature (−40 °C) give almost exclusively a single branched product, (Z)-3-alkylhexa-1,4-diene, which arises from a 1,4-hydrovinylation reaction. A minor product is the linear adduct, a 5-alkyl-hexa-1,4-diene, also arising from a 1,4-addition of ethylene. As the temperature is increased, a higher proportion of the major 1,4-adduct appears as the (E)-isomer. The unexpectedly high selectivity seen in the Co-catalysed reaction as compared to the corresponding Ni-catalysed reaction can be rationalized by invoking the intermediacy of an η4-[(diene)[P~P]CoH]+-complex and its subsequent reactions. The enhanced reactivity of terminal E-1,3-dienes over the corresponding Z-dienes can also be explained on the basis of the ease of formation of this η4-complex in the former case. The lack of reactivity of the X2Co(dppb) (X = Cl, Br) complexes in the presence of Zn/ZnI2 makes the Me3Al-mediated reaction different from the previously reported hydroalkenylation of dienes. Electron-rich phospholanes, bis-oxazolines and N-heterocyclic carbenes appear to be poor ligands for the Co(II)-catalysed hydrovinylation of 1,3-dienes. An extensive survey of chiral ligands reveals that complexes of DIOP, BDDP and Josiphos ligands are quite effective for these reactions even at −45 °C and enantioselectivities in the range of 90–99 % ee can be realized

  13. Solid Waste Projection Model: Database (Version 1. 3)

    SciTech Connect

    Blackburn, C.L.

    1991-11-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC). The SWPM system provides a modeling and analysis environment that supports decisions in the process of evaluating various solid waste management alternatives. This document, one of a series describing the SWPM system, contains detailed information regarding the software and data structures utilized in developing the SWPM Version 1.3 Database. This document is intended for use by experienced database specialists and supports database maintenance, utility development, and database enhancement.

  14. 1,3,5-Hydroxybenzene structures in mosses

    USGS Publications Warehouse

    Wilson, M.A.; Sawyer, J.; Hatcher, P.G.; Lerch, H. E.

    1989-01-01

    A number of mosses from widely different families have been studied by cross polarization solid state 13C NMR spectroscopy. Although polysaccharide-type materials dominate the NMR spectra, significant amounts of aromatic carbons are observed in some mosses. Some of this material can be removed by ultrasonic bath treatment, and is lignin derived, probably from impurities from fine root material from associated higher plants. However other material is truly moss-derived and appears to be from 1,3,5-hydroxybenzene structures. This is inconsistent with lignin as being a component of mosses, and suggests a tannin or hydroxybenzofuran polymer is responsible for moss rigidity. ?? 1989.

  15. Syndrome measurement order for the [[7,1,3

    NASA Astrophysics Data System (ADS)

    Weinstein, Yaakov S.

    2016-03-01

    In this work, we explore the accuracy of quantum error correction depending of the order of the implemented syndrome measurements. CSS codes require that bit-flip and phase-flip syndromes be measured separately. To comply with fault-tolerant demands and to maximize accuracy, this set of syndrome measurements should be repeated allowing for flexibility in the order of their implementation. We examine different possible orders of Shor-state and Steane-state syndrome measurements for the [[7,1,3

  16. Structure and Tunneling Dynamics of gauche-1,3-BUTADIENE

    NASA Astrophysics Data System (ADS)

    Changala, Bryan; Baraban, Joshua H.; Martin-Drumel, Marie-Aline; Eibenberger, Sandra; Patterson, David; Stanton, John F.; Ellison, Barney; McCarthy, Michael C.

    2017-06-01

    We have recently shown that gauche-1,3-butadiene is unambiguously non-planar, with a C=C-C=C dihedral angle of about 34°, and readily tunnels between two equivalent gauche structures. In this talk, subsequent microwave studies of gauche-1,3-butadiene and its isotopologues as well as the empirical equilibrium structure will be summarized. The experiments have utilized the complementary techniques of cavity enhanced Fourier transform microwave (FTMW) spectroscopy with a supersonic expansion and chirped-pulse FTMW in a cryogenic buffer gas cell. The structural characterization is complicated by the effects of facile tunneling, and full dimensional ab initio rotational-VMP2 calculations have been performed to address this issue. We will show how the tunneling splitting frequency, which ranges between about 0.5 and 2.0 cm^{-1} (depending on the isotopologue), can be extracted from the experimental spectra by careful examination of tunneling-rotation perturbations. M.-A. Martin-Drumel et al., ISMS 2016, MI11

  17. Heats of NF(sub n) (n= 1-3) and NF(sub n)(+)(n = 1-3)

    NASA Technical Reports Server (NTRS)

    Ricca, Alessandra; Arnold, James (Technical Monitor)

    1998-01-01

    Accurate heats of formation are computed for NF(sub n) and NF(sub n)(+), for n = 1-3. The geometries and the vibrational frequencies are determined at the B3LYP level of theory. The energetics are determined at the CCSD(T) level of theory. Basis set limit values are obtained by extrapolation. In those cases where the CCSD(T) calculations become prohibitively large, the basis set extrapolation is performed at the MP2 level. The temperature dependence of the heat of formation, heat capacity, and entropy are computed for the temperature range 300 to 4000 K and fit to a polynomial.

  18. Bibliographie Moderner Fremdsprachenunterricht. (A Bibliography of Modern Foreign Language Instruction.) Vol. 4, No. 3.

    ERIC Educational Resources Information Center

    Informationszentrum fuer Fremdsprachenforschung, Marburg (West Germany).

    This document is part of a West German information dissemination system that is similar to ERIC. This annotated bibliography, published quarterly by the IFS, lists items compiled in conjunction with the ERIC/CLL as well as with a number of institutions in other countries. Most of the 251 items listed in Vol. 4, No. 3 appeared in 1973 and deal…

  19. 9. First floor plan,published in 'Architectural Record',Vol 31,No. 4, April ...

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

    9. First floor plan,published in 'Architectural Record',Vol 31,No. 4, April 1912,p 356,courtesy of the Art Institute of Chicago,permission to duplicate courtesy of'Architectural Record' - Chicago City Hall, 121 North LaSalle Street, Chicago, Cook County, IL

  20. 10. Fifth floor plan,published in 'Architectural Record',Vol 31,No. 4, April ...

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

    10. Fifth floor plan,published in 'Architectural Record',Vol 31,No. 4, April 1912,p. 356 (?),courtesy of Art Institute of Chicago, permission to duplicate courtesy of 'Architectural Record' - Chicago City Hall, 121 North LaSalle Street, Chicago, Cook County, IL

  1. 1. Photocopied December 1977, from original in 'Report of J.B.J.,'Vol. ...

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

    1. Photocopied December 1977, from original in 'Report of J.B.J.,'Vol. I, Jervis Library. ELEVATION OF SING SING KILL BRIDGE, SHOWING ORIGINAL PLAN FOR AN 80-FOOT ARCH. - Old Croton Aqueduct, Sing Sing Kill Bridge, Spanning Aqueduct Street & Broadway, Ossining, Westchester County, NY

  2. VolSurf: a new tool for the pharmacokinetic optimization of lead compounds.

    PubMed

    Cruciani, G; Pastor, M; Guba, W

    2000-10-01

    A method for the modeling and prediction of pharmacokinetic properties based on computed molecular interaction fields and multivariate statistics has been investigated in different experimental datasets. The program VolSurf was used to correlate 3D molecular structures with physico-chemical and pharmacokinetic properties. In membrane partitioning, VolSurf produced a two-component model explaining 94% of the total variation with a predictive q(2) of 0.90. This result was achieved without conformational sampling and without any quantum-chemical calculation. For the prediction of blood-brain barrier penetration the VolSurf model was able to predict the BBB profile for most of the drugs in the external prediction set. In Caco-2 and MDCK permeation experiments, VolSurf was used with success to establish statistical models and to predict the behaviour of new compounds. The method thus appears as a valuable new property filter in virtual screening and as a novel tool in optimizing the pharmacokinetic profile of pharmaceutically relevant compounds.

  3. Propane-1,3-diammonium dichromate(VI).

    PubMed

    Trabelsi, Sonia; Marouani, Houda; Al-Deyab, Salem S; Rzaigui, Mohamed

    2012-08-01

    The title compound, (C(3)H(12)N(2))[Cr(2)O(7)], consists of a discrete dichromate anion with an eclipsed conformation and a propane-1,3-diammonium cation. Both kinds of ions have a mirror plane passing through the bridging O atom and the central methyl-ene C atom of the Cr(2)O(7) (2-) and C(3)H(12)N(2) (2+) moieties, respectively. Anions and cations are alternately stacked to form columns parallel to the b axis. Ions are linked by intra- and inter-column hydrogen bonds of types N-H⋯O and C-H⋯O, involving O atoms of the dichromate anions as acceptors, and ammonium or methyl-ene groups as donors.

  4. Microbial conversion of glycerol to 1,3-propanediol

    SciTech Connect

    Zeng, A.P.; Biebl, H.; Deckwer, W.D.

    1996-10-01

    Glycerol is a byproduct from the soap and detergent industry and possibly from future biodiesel plants. The conversion of glycerol to 1,3-propanediol (PD) is of industrial interest due to the potential use of PD for the synthesis of polyesters. We have been studying the microbial conversion of glycerol to PD with work ranging from strain isolation, medium optimization, pathway analysis, product formation kinetics and growth modeling, downstream processing and reactor scale-up (up to 2000 1). PD yields of nearly 100% of the theoretical maximum (0.72 mol/mol glycerol) and final product concentrations of about 65 g/l were achieved with both Klebsiella pneumoniae and Clostridium butyricum. In addition to summarizing our experimental results the advances of bioconversion of glycerol will be reviewed in this presentation, with emphasis on discussing further research and development needs in this area. Results of process engineering and cost analysis will also be presented.

  5. The vibrational spectra of 1,3-dithiane-1-oxide and 1,3-dithia-1-oxocyclohept-5-ene

    NASA Astrophysics Data System (ADS)

    Noskov, A. I.; Fishman, A. I.; Galjautdinova, A. N.; Klimovitskii, E. N.

    2010-09-01

    The IR spectra of 1,3-dithiane-1-oxide (I) and 1,3-dithia-1-oxocyclohept-5-ene (II) were recorded in solution, solid and liquid phase over 4000-400 cm -1 spectral range. It was found that both (I) and (II) in liquid phase and solutions exist in two conformations: (I) chair-e ( Ce) and chair-a ( Ca) with equatorial and axial positions of the S dbnd O bond, respectively, and (II) chair-e ( Ce) and boat-e ( Be). The intensity variations with temperature (300-180 K) of the bands 632 ( Ca) and 644 cm -1 ( Ce) of (I) in acetone-d 6 and the bands 482 ( Be) и 448 cm -1 ( Ce) of (II) in melt were employed in Van't Hoff plot and gave the values Δ H°( Ca - Ce) = 380 ± 40 cal mol -1 (I) and Δ H° ( Be - Ce) = 400 ± 100 cal mol -1 (II). Ab initio calculations were carried out with the Gaussian 98 program using the basis set 6-31G(d) for (I) and 6-311++G(d,p) for (II). The energy difference between Ca and Ce conformations for (I) and Be and Ce for (II) are in a good agreement with experimental results. Vibrational frequencies for both conformations (I) and (II) were calculated. After appropriate scaling a reasonably good agreement between the experimental and calculated wave numbers was obtained.

  6. Microbially Mediated Biodegradation of Hexahydro-1,3,5-Trinitro-1,3,5- Triazine by Extracellular Electron Shuttling Compounds

    PubMed Central

    Kwon, Man Jae; Finneran, Kevin T.

    2006-01-01

    The potential for humic substances to stimulate the reduction of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) was investigated. This study describes a novel approach for the remediation of RDX-contaminated environments using microbially mediated electron shuttling. Incubations without cells demonstrated that reduced AQDS transfers electrons directly to RDX, which was reduced without significant accumulation of the nitroso intermediates. Three times as much reduced AQDS (molar basis) was needed to completely reduce RDX. The rate and extent of RDX reduction differed greatly among electron shuttle/acceptor amendments for resting cell suspensions of Geobacter metallireducens and G. sulfurreducens with acetate as the sole electron donor. AQDS and purified humic substances stimulated the fastest rate of RDX reduction. The nitroso metabolites did not significantly accumulate in the presence of AQDS or humic substances. RDX reduction in the presence of poorly crystalline Fe(III) was relatively slow and metabolites transiently accumulated. However, adding humic substances or AQDS to Fe(III)-containing incubations increased the reduction rates. Cells of G. metallireducens alone reduced RDX; however, the rate of RDX reduction was slow relative to AQDS-amended incubations. These data suggest that extracellular electron shuttle-mediated RDX transformation is not organism specific but rather is catalyzed by multiple Fe(III)- and humic-reducing species. Electron shuttle-mediated RDX reduction may eventually become a rapid and effective cleanup strategy in both Fe(III)-rich and Fe(III)-poor environments. PMID:16957213

  7. Microaerophilic degradation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by three Rhodococcus strains.

    PubMed

    Fuller, M E; Perreault, N; Hawari, J

    2010-09-01

    The goal of this study was to compare the degradation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by three Rhodococcus strains under anaerobic, microaerophilic (<0.04 mg l(-1) dissolved oxygen) and aerobic (dissolved oxygen (DO) maintained at 8 mg l(-1)) conditions. Three Rhodococcus strains were incubated with no, low and ambient concentrations of oxygen in minimal media with succinate as the carbon source and RDX as the sole nitrogen source. RDX and RDX metabolite concentrations were measured over time. Under microaerophilic conditions, the bacteria degraded RDX, albeit about 60-fold slower than under fully aerobic conditions. Only the breakdown product, 4-nitro-2,4-diazabutanal (NDAB) accumulated to measurable concentrations under microaerophilic conditions. RDX degraded quickly under both aerated and static aerobic conditions (DO allowed to drop below 1 mg l(-1)) with the accumulation of both NDAB and methylenedinitramine (MEDINA). No RDX degradation was observed under strict anaerobic conditions. The Rhodococcus strains did not degrade RDX under strict anaerobic conditions, while slow degradation was observed under microaerophilic conditions. The RDX metabolite NDAB was detected under both microaerophilic and aerobic conditions, while MEDINA was detected only under aerobic conditions. IMPACT AND SIGNIFICANCE OF THE STUDY: This work confirmed the production of MEDINA under aerobic conditions, which has not been previously associated with aerobic RDX degradation by these organisms. More importantly, it demonstrated that aerobic rhodococci are able to degrade RDX under a broader range of oxygen concentrations than previously reported.

  8. Dissociative electron attachment to the nitroamine HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine).

    PubMed

    Postler, Johannes; Goulart, Marcelo M; Matias, Carolina; Mauracher, Andreas; Ferreira da Silva, Filipe; Scheier, Paul; Limão-Vieira, Paulo; Denifl, Stephan

    2013-05-01

    In the present study, dissociative electron attachment (DEA) measurements with gas phase HMX, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine, C4H8N8O8, have been performed by means of a crossed electron-molecular beam experiment. The most intense signals are observed at 46 and 176 u and assigned to NO2(-) and C3H6N5O4(-), respectively. Anion efficiency curves for 15 negatively charged fragments have been measured in the electron energy region from about 0-20 eV with an energy resolution of ~0.7 eV. Product anions are observed mainly in the low energy region, near 0 eV, arising from surprisingly complex reactions associated with multiple bond cleavages and structural and electronic rearrangement. The remarkable instability of HMX towards electron attachment with virtually zero kinetic energy reflects the highly explosive nature of this compound. Substantially different intensity ratios of resonances for common fragment anions allow distinguishing the nitroamines HMX and royal demolition explosive molecule (RDX) in negative ion mass spectrometry based on free electron capture.

  9. Alkaline hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine: M06-2X investigation.

    PubMed

    Sviatenko, Liudmyla K; Gorb, Leonid; Hill, Frances C; Leszczynska, Danuta; Okovytyy, Sergiy I; Leszczynski, Jerzy

    2015-09-01

    Alkaline hydrolysis mechanism of possible environmental contaminant RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) was investigated computationally at the PCM(Pauling)/M06-2X/6-311++G(d,p) level of theory. Results obtained show that the initial deprotonation of RDX by hydroxide leads to nitrite elimination and formation of a denitrated cyclohexene intermediate. Further nucleophilic attack by hydroxide onto cyclic CN double bond results in ring opening. It was shown that the presence of hydroxide is crucial for this stage of the reaction. The dominant decomposition pathway leading to a ring-opened intermediate was found to be formation of 4-nitro-2,4-diazabutanal. Hydrolytic transformation of its byproduct (methylene nitramine) leads to end products such as formaldehyde and nitrous oxide. Computational results are in a good agreement with experimental data on hydrolysis of RDX, suggesting that 4-nitro-2,4-diazabutanal, nitrite, formaldehyde, and nitrous oxide are main products for early stages of RDX decomposition under alkaline conditions.

  10. A novel dilithiation approach to 3,4-dihydro-2H-1,3-benzothiazines, 3,4-Dihydro-2H-1,3-benzoxazines, and 2,3,4,5-tetrahydro-1,3-benzothiazepines.

    PubMed

    Katritzky, Alan R; Xu, Yong-Jiang; Jain, Ritu

    2002-11-15

    3,4-Dihydro-2H-1,3-benzothiazines 4, 3,4-dihydro-2H-1,3-benzoxazines 9, and 2,3,4,5-tetrahydro-1,3-benzothiazepines 6 were synthesized by directed ortho-lithiation of thiophenols and phenols and by side-chain lithiation of substituted thiophenols, respectively, in one-pot by reacting with N,N-bis[(benzotriazol-1-yl)methyl]amines 3 as 1,3-biselectrophile synthons.

  11. Effects of Microstructure on Electrode Properties of Nanosheet-Derived Hx(Ni1/3Co1/3Mn1/3)O2 for Electrochemical Capacitors

    PubMed Central

    Yano, Masato; Suzuki, Shinya; Miyayama, Masaru; Ohgaki, Masataka

    2013-01-01

    Nanosheet-derived Hx(Ni1/3Co1/3Mn1/3)O2 was prepared by restacking (Ni1/3Co1/3Mn1/3)O2 nanosheets with large or small lateral sizes and their electrochemical properties in a 1 M KOH aqueous solution; microstructural factors were compared with those of bulk Hx(Ni1/3Co1/3Mn1/3)O2 (HNCM). The electrodes composed of small nanosheets exhibited very large capacitances of 1241 F·g−1 (395 mAh·g−1) at a current density of 50 mA·g−1, and 430 F·g−1 (100 mAh·g−1) at a large current density of 1000 mA·g−1. These large capacitances resulted from a heterogeneous layer structure with a large surface area and pore volume. The electrodes of large nanosheets, with a strongly interconnected microstructure and a surface area slightly larger than that of HNCM, exhibited good cycle stability and capacitances larger than that of HNCM. Microstructural control through the restacking of (Ni1/3Co1/3Mn1/3)O2 nanosheets improved the electrochemical properties of Hx(Ni, Co, Mn)O2.

  12. Microwave Plasma Chemical Vapor Deposition of Carbon Coatings on LiNi1/3Co1/3Mn1/3O2 for Li-Ion Battery Composite Cathodes

    SciTech Connect

    Doeff, M.M.; Kostecki, R.; Marcinek, M.; Wilcoc, J.D.

    2008-12-10

    In this paper, we report results of a novel synthesis method of thin film conductive carbon coatings on LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} cathode active material powders for lithium-ion batteries. Thin layers of graphitic carbon were produced from a solid organic precursor, anthracene, by a one-step microwave plasma chemical vapor deposition (MPCVD) method. The structure and morphology of the carbon coatings were examined using SEM, TEM, and Raman spectroscopy. The composite LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} electrodes were electrochemically tested in lithium half coin cells. The composite cathodes made of the carbon-coated LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} powder showed superior electrochemical performance and increased capacity compared to standard composite LiNi{sub 1/3}Co{sub 1/3}Mn{sub 1/3}O{sub 2} electrodes.

  13. Theoretical studies of excited state 1,3 dipolar cycloadditions

    NASA Astrophysics Data System (ADS)

    Belluccci, Michael A.

    The 1,3 dipolar photocycloaddition reaction between 3-hydroxy-4',5,7-trimethoxyflavone (3-HTMF) and methyl cinnamate is investigated in this work. Since its inception in 2004 [JACS, 124, 13260 (2004)], this reaction remains at the forefront in the synthetic design of the rocaglamide natural products. The reaction is multi-faceted in that it involves multiple excited states and is contingent upon excited state intramolecular proton transfer (ESIPT) in 3-HTMF. Given the complexity of the reaction, there remain many questions regarding the underlying mechanism. Consequently, throughout this work we investigate the mechanism of the reaction along with a number of other properties that directly influence it. To investigate the photocycloaddition reaction, we began by studying the effects of different solvent environments on the ESIPT reaction in 3-hydroxyflavone since this underlying reaction is sensitive to the solvent environment and directly influences the cycloaddition. To study the ESIPT reaction, we developed a parallel multi-level genetic program to fit accurate empirical valence bond (EVB) potentials to ab initio data. We found that simulations with our EVB potentials accurately reproduced experimentally determined reaction rates, fluorescence spectra, and vibrational frequency spectra in all solvents. Furthermore, we found that the ultrafast ESIPT process results from a combination of ballistic transfer and intramolecular vibrational redistribution. To investigate the cycloaddition reaction mechanism, we utilized the string method to obtain minimum energy paths on the ab initio potential. These calculations demonstrated that the reaction can proceed through formation of an exciplex in the S1 state, followed by a non-adiabatic transition to the ground state. In addition, we investigated the enantioselective catalysis of the reaction using alpha,alpha,alpha',alpha'-tetraaryl-1,3-dioxolan-4,5-dimethanol alcohol (TADDOL). We found that TADDOL lowered the energy

  14. Elevated root retention of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in coniferous trees.

    PubMed

    Schoenmuth, Bernd; Mueller, Jakob O; Scharnhorst, Tanja; Schenke, Detlef; Büttner, Carmen; Pestemer, Wilfried

    2014-03-01

    For decades, the explosive RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) has been used for military and industrial applications. Residues of RDX pollute soils in large areas globally and the persistence and high soil mobility of these residues can lead to leaching into groundwater. Dendroremediation, i.e. the long-term use of trees to clean up polluted soils, is gaining acceptance as a green and sustainable strategy. Although the coniferous tree species Norway spruce and Scots pine cover large areas of military land in Central Europe, the potential of any coniferous tree for dendroremediation of RDX is still unknown. In this study, uptake experiments with a (14)C-labelled RDX solution (30 mg L(-1)) revealed that RDX was predominantly retained in the roots of 6-year-old coniferous trees. Only 23 % (pine) to 34 % (spruce) of RDX equivalents (RDXeq) taken up by the roots were translocated to aboveground tree compartments. This finding contrasts with the high aerial accumulation of RDXeq (up to 95 %) in the mass balances of all other plant species. Belowground retention of RDXeq is relatively stable in fine root fractions, since water leaching from tissue homogenates was less than 5 %. However, remobilisation from milled coarse roots and tree stubs reached up to 53 %. Leaching from homogenised aerial tree material was found to reach 64 % for needles, 58 % for stems and twigs and 40 % for spring sprouts. Leaching of RDX by precipitation increases the risk for undesired re-entry into the soil. However, it also opens the opportunity for microbial mineralisation in the litter layer or in the rhizosphere of coniferous forests and offers a chance for repeated uptake of RDX by the tree roots.

  15. Toxicity of hexahydro-1,3,5-trinitro-1,3,5-triazine to larval zebrafish (Danio rerio)

    USGS Publications Warehouse

    Mukhi, S.; Pan, X.; Cobb, G.P.; Patino, R.

    2005-01-01

    Hexahydro-1,3,5-trinitro-1,3,5-triazine, a cyclonitramine commonly known as RDX, is used in the production of military munitions. Contamination of soil, sediment, and ground and surface waters with RDX has been reported in different places around the world. Acute and subacute toxicities of RDX have been relatively well documented in terrestrial vertebrates, but among aquatic vertebrates the information available is limited. The objective of this study was to characterize the acute toxicity of RDX to larval zebrafish. Mortality (LC50) and incidence of vertebral column deformities (EC50) were two of the end points measured in this study. The 96-h LC50 was estimated at 22.98 and 25.64 mg l-1 in two different tests. The estimated no-observed-effective- concentration (NOEC) values of RDX on lethality were 13.27 ?? 0.05 and 15.32 ?? 0.30 mg l-1; and the lowest-observed-effective- concentration (LOEC) values were 16.52 ?? 0.05 and 19.09 ?? 0.23 mg l-1 in these two tests, respectively. The 96-h EC50 for vertebral deformities on survivors from one of the acute lethality tests was estimated at 20.84 mg l-1, with NOEC and LOEC of 9.75 ?? 0.34 and 12.84 ?? 0.34 mg l-1, respectively. Behavioral aberrations were also noted in this acute toxicity study, including the occurrence of whirling movement and lethargic behavior. The acute effects of RDX on survival, incidence of deformities, and behavior of larval zebrafish occurred at the high end of the most frequently reported concentrations of RDX in aquatic environments. The chronic effects of RDX in aquatic vertebrates need to be determined for an adequate assessment of the ecological risk of environmental RDX. ?? 2005 Elsevier Ltd. All rights reserved.

  16. Toxicity of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in three vertebrate species.

    PubMed

    Johnson, Mark S; McFarland, Craig A; Bazar, Matthew A; Quinn, Michael J; LaFiandra, Emily May; Talent, Larry G

    2010-04-01

    The explosive, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine or high-melting explosive (HMX), has been found in soils in areas used for testing and training by the military. Many of these areas contain habitat for valued wildlife species. In an effort to better understand the environmental consequences from exposure, a reptilian (western fence lizard [Sceloporus occidentalis]), an amphibian (red-backed salamander [Plethodon cinereus]), and a mammalian species (rabbit [Oryctolagus cuniculus]) were exposed to HMX under controlled laboratory conditions. Lizards and rabbits were exposed to HMX by way of corn oil through gavage, and salamanders were exposed to HMX in soil. Two deaths occurred from acute oral exposures to lizards to 5000 mg HMX/kg BW. Histological and gross pathologic assessment suggested gut impaction as a possible cause of death. Salamanders exposed to concentrations of HMX in soil < or = 1970 mg HMX/kg soil for 10 days did not show adverse effects. Rabbits, however, showed neurologic effects manifested as hyperkinetic events with convulsions at > 24 h after oral exposures. An LD(50) for rabbits was calculated as 93 mg/kg (95% confidence interval 76-117). A subacute 14-day testing regime found a lowest observed effect level of 10 mg/kg-d and a no observed adverse effect level of 5 mg/kg-d based on hyperkinesia and seizure incidence, although changes suggesting functional hepatic alterations were also found. These data suggest that physiologic differences between species, particularly in gastrointestinal structure and function, can affect the absorption of HMX and hence lead to marked differences in toxicity from exposure to the same compound.

  17. Polymerization of 1,3-Dienes with Functional Groups. 4.

    NASA Astrophysics Data System (ADS)

    Takenaka, Katsuhiko; Shibata, Natsuyo; Tsuchida, Shinsuke; Takeshita, Hiroki; Miya, Masamitsu; Shiomi, Tomoo

    Anionic polymerization of N,N-diethyl-2-methylene-3-butenamide (DEA), which is a 1,3-butadiene derivative containing a diethylamide function, was carried out in tetrahydrofurane (THF) under various conditions. When DEA was polymerized in THF at -78°C using potassium naphthalenide (K-Naph) or diphenylmethylpotassium (DPMK) as an initiator, a polymer of predictable molecular weight with a narrow molecular weight distribution was obtained. However, the rate of polymerization was extremely slow to reach 80% conversion after 720 h. When the polymerization temperature was raised to 20°C, a low molecular weight oligomer with a broad molecular weight distribution was obtained because of a chain transfer reaction. On the other hand, no such side reaction occurred even at 20°C, when polymerization was carried out in the presence of LiCl. Also, the chain transfer reaction did not occur in lithium naphthalenide (Li-Naph) initiated polymerization. The microstructure of the polymer prepared using a potassium counter cation was a 1 : 1 mixture of 1,4-E and 1,2- structures. In the case of Li-Naph or DPMK/LiCl systems, the microstructure was a complicated mixture of 1,4-E, 1,4-Z, and 1,2-structures.

  18. 1,3-Diphenylisobenzofuran: a Model Chromophore for Singlet Fission

    DOE PAGES

    Johnson, Justin C.; Michl, Josef

    2017-09-11

    In this review we first provide an introductory description of the singlet fission phenomenon and then describe the ground and electronically excited states of the parent 1,3-diphenylisobenzofuran chromophore (1) and about a dozen of its derivatives. A discussion of singlet fission in thin polycrystalline layers of these materials follows. The highest quantum yield of triplet formation by singlet fission, 200% at 80 K, is found in one of the two known crystal modification of the parent. In the other modification and in many derivatives, excimer formation competes successfully and triplet yields are low. A description of solution photophysics of covalentmore » dimers is described in the next section. Triplet yields are very low, but interesting phenomena are uncovered. One is an observation of a separated-charges (charge-transfer) intermediate in highly polar solvents. The other is an observation of excitation isomerism in both singlet and triplet states, where in one isomer the excitation is delocalized over both halves of the covalent dimer, whereas in the other it is localized on one of the halves. Finally, in the last section we present the operation of a simple device illustrating the use of triplets generated by singlet fission for charge separation.« less

  19. Species differences in metabolism of 1,3-butadiene

    SciTech Connect

    Henderson, R.F.

    1995-02-01

    1,3-Butadiene (BD) is a 4-carbon gaseous compound with two double bonds. Used in high tonnage to make styrene-butadiene polymers in the rubber industry. Because of large amounts in use, BD was tested for toxicity in 2-year inhalation exposures of both Sprague-Dawley rats and B6C3F{sub 1} mice. The results of the two-species studies were dramatically different. In the initial study in mice, BD was shown to be a potent multiple-site carcinogen at exposure levels of 625 and 1250 ppM. There were increased incidences of neoplasia in the heart, lung, mammary gland, and ovary; malignant lymphomas resulted in early deaths of the mice so that the planned 2-year study was stopped after only 61 weeks of exposure. The second study in mice was conducted at much lower exposure concentrations (6.25, 20, 62.5, 200, and 625 ppM) and lasted 104 weeks. Increased incidences of hemangiosarcomas of the heart and lung neoplasia were observed in males exposed to 62.5 ppM BD, while females had increased lung neoplasia even at the 6.25 ppM exposure level. Early deaths from lymphomas were again observed at the high exposure concentration (625 ppm). A noncancer toxicity observed in mice was a macrocytic, megaloblastic anemia.

  20. Metabolism of 1,3-butadiene: species differences.

    PubMed

    Henderson, R F; Thornton-Manning, J R; Bechtold, W E; Dahl, A R

    1996-10-28

    Species differences in the metabolism of 1,3-butadiene (BD) have been studied in an effort to explain the major differences observed in the responses of mice, the sensitive species, and rats, the resistant species, to the toxicity of inhaled BD. BD is metabolized by the same metabolic pathways in all species studied, but there are major species differences in the quantitative aspects of those pathways. Of the species studied, mice are the most efficient at metabolizing BD to the initial metabolite, the monoepoxide (BDO). Mice either convert most of the BDO to the diepoxide (BDO2), the most mutagenic of the BD metabolites, or form conjugates of the BDO with glutathione (GSH). Rats, on the other hand, are less active at forming BDO, oxidize very little of the BDO to BDO2, and form GSH conjugates with either the BDO or its hydrolysis product, butenediol. Primates convert even less of inhaled BD to BDO and hydrolyze most of the BDO to the butenediol. The extent to which primates form BDO2 is unknown. Because of the association of high levels of the highly mutagenic BDO2 with the sensitive rodent strain, it is important to determine the production of this metabolite in primates, particularly humans.

  1. 1,3-Diphenylisobenzofuran: a Model Chromophore for Singlet Fission.

    PubMed

    Johnson, Justin C; Michl, Josef

    2017-09-11

    In this review we first provide an introductory description of the singlet fission phenomenon and then describe the ground and electronically excited states of the parent 1,3-diphenylisobenzofuran chromophore (1) and about a dozen of its derivatives. A discussion of singlet fission in thin polycrystalline layers of these materials follows. The highest quantum yield of triplet formation by singlet fission, 200% at 80 K, is found in one of the two known crystal modification of the parent. In the other modification and in many derivatives, excimer formation competes successfully and triplet yields are low. A description of solution photophysics of covalent dimers is described in the next section. Triplet yields are very low, but interesting phenomena are uncovered. One is an observation of a separated-charges (charge-transfer) intermediate in highly polar solvents. The other is an observation of excitation isomerism in both singlet and triplet states, where in one isomer the excitation is delocalized over both halves of the covalent dimer, whereas in the other it is localized on one of the halves. In the last section we present the operation of a simple device illustrating the use of triplets generated by singlet fission for charge separation.

  2. Functionalization of graphene via 1,3-dipolar cycloaddition.

    PubMed

    Quintana, Mildred; Spyrou, Konstantinos; Grzelczak, Marek; Browne, Wesley R; Rudolf, Petra; Prato, Maurizio

    2010-06-22

    Few-layer graphenes (FLG) produced by dispersion and exfoliation of graphite in N-methylpyrrolidone were successfully functionalized using the 1,3-dipolar cycloaddition of azomethine ylides. The amino functional groups attached to graphene sheets were quantified by the Kaiser test. These amino groups selectively bind to gold nanorods, which were introduced as contrast markers for the identification of the graphene reactive sites. The interaction between gold nanorods and functionalized graphene was followed by UV-vis spectroscopy. The presence of the organic groups was confirmed by X-ray photoelectron spectroscopy and thermogravimetric analysis. The sheets were characterized by transmission electron microscopy, demonstrating the presence of gold nanorods distributed uniformly all over the graphene surface. This observation indicates that reaction has taken place not just at the edges but also at the internal C horizontal lineC bonds of graphene. Our results identify exfoliated graphene as a considerably more reactive structure than graphite and hence open the possibility to control the functionalization for use as a scaffold in the construction of organized composite nanomaterials.

  3. Transport of DESY 1.3 GHZ Cryomodule at Fermilab

    SciTech Connect

    McGee, M.W.; Arkan, T.; Borissov, E.; Leibfritz, J.; Schappert, W.; Barbanotti, S.; /LASA, Segrate /INFN, Milan

    2009-05-01

    In an exchange of technology agreement, Deutsches Elektron-Synchrotron (DESY) Laboratory in Hamburg Germany has provided a 1.3 GHz cryomodule 'kit' to Fermilab. The cryomodule components (qualified dressed cavities, cold mass parts, vacuum vessel, etc.) sent from Germany in pieces were assembled at Fermilab's Cryomodule Assembly Facility (CAF). The cavity string was assembled at CAF-MP9 Class 10 cleanroom and then transported to CAF-ICB cold mass assembly area via a flatbed air ride truck. Finite Element Analysis (FEA) studies were implemented to define location of instrumentation for initial cold mass transport, providing modal frequencies and shapes. Subsequently, the fully assembled cryomodule was transported to the SRF Accelerator Test Facility at New Muon Lab (NML). Internal geophones (velocity sensors) were attached during the coldmass assembly for transport (warm) and operational (cold) measurements. A description of the isolation system that maintained alignment during transport and protected fragile components is provided. Shock and vibration measurement results of each transport and modal analysis are discussed.

  4. Synthesis and antimicrobial activity of styryl/pyrrolyl/pyrazolyl sulfonylmethyl-1,3,4-oxadiazolyl amines and styryl/pyrrolyl/pyrazolyl sulfonylmethyl-1,3,4-thiadiazolyl amines.

    PubMed

    Sravya, G; Yamini, G; Padmavathi, V; Padmaja, A

    2016-10-21

    A new class of mono and bis heterocycles - styryl sulfonylmethyl-1,3,4-oxadiazolyl/1,3,4-thiadiazolyl amines, pyrrolyl sulfonylmethyl-1,3,4-oxadiazolyl/1,3,4-thiadiazolyl amines and pyrazolyl sulfonylmethyl-1,3,4-oxadiazolyl/1,3,4-thiadiazolyl amines were prepared from the synthetic intermediate Z-styrylsulfonylacetic acid adopting simple and well versed synthetic methodologies and studied their antimicrobial activity. Amongst all the tested compounds styryl thiadiazole 5c exhibited promising antimicrobial activity against Pseudomonas aeruginosa and Penicillium chrysogenum.

  5. A 1.3 cm line survey toward Orion KL

    NASA Astrophysics Data System (ADS)

    Gong, Y.; Henkel, C.; Thorwirth, S.; Spezzano, S.; Menten, K. M.; Walmsley, C. M.; Wyrowski, F.; Mao, R. Q.; Klein, B.

    2015-09-01

    Context. The nearby Orion Kleinmann-Low nebula is one of the most prolific sources of molecular line emission. It has served as a benchmark for spectral line searches throughout the (sub)millimeter regime. Aims: The main goal is to systematically study the spectral characteristics of Orion KL in the λ ~ 1.3 cm band. Methods: We carried out a spectral line survey with the Effelsberg-100 m telescope toward Orion KL. It covers the frequency range between 17.9 GHz and 26.2 GHz, i.e., the radio "K band". We also examined ALMA maps to address the spatial origin of molecules detected by our 1.3 cm line survey. Results: In Orion KL, we find 261 spectral lines, yielding an average line density of about 32 spectral features per GHz above 3σ (a typical value of 3σ is 15 mJy). The identified lines include 164 radio recombination lines (RRLs) and 97 molecular lines. The RRLs, from hydrogen, helium, and carbon, stem from the ionized material of the Orion Nebula, part of which is covered by our beam. The molecular lines are assigned to 13 different molecular species including rare isotopologues. A total of 23 molecular transitions from species known to exist in Orion KL are detected for the first time in the interstellar medium. Non-metastable (J>K) 15NH3 transitions are detected in Orion KL for the first time. Based on the velocity information of detected lines and the ALMA images, the spatial origins of molecular emission are constrained and discussed. A narrow feature is found in SO2 (81,7 - 72,6), but not in other SO2 transitions, possibly suggesting the presence of a maser line. Column densities and fractional abundances relative to H2 are estimated for 12 molecules with local thermodynamic equilibrium (LTE) methods. Rotational diagrams of non-metastable 14NH3 transitions with J = K + 1 to J = K + 4 yield different results; metastable (J = K) 15NH3 is found to have a higher excitation temperature than non-metastable 15NH3, also indicating that they may trace different

  6. Bioavailability of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) to the Praire Vole (Microtus ochrogaster).

    SciTech Connect

    Fellows, Robert J.; Driver, Crystal J.; Cataldo, Dominic A.; Harvey, Scott D.

    2006-07-01

    Estimating risk to wildlife requires that measures of exposure be equivalent to that of the laboratory studies from which toxic responses were observed. Exposure measures are often based on modeled estimates of uptake through the food web. These modeled estimates use largely untested assumptions that can lead to inaccurate, uncertain, and unreliable estimates of exposure. Recently, concerns have been raised over the potential bioavailability and biotransfer of munitions or energetics materials such as hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). RDX is more recalcitrant in the soil, may remain as the parent compound for extended periods of time, and is rapidly taken up by the roots of higher plants and partitioned predominantly into the above ground, herbivore-accessible tissues. This study assessed plant incorporated [14C]-RDX and plant derived [14C]-RDX-metabolites ingestion by a representative hindgut herbivore, the prairie vole (Microtus ochrogaster). The animals were fed the labeled chow (≤10 g/ day max) for five or seven days followed by a six or four day chase period with the control chow prior to final weighing and sacrifice. Animal excreta including feces, urine, and respired CO2 were collected and measured. Greater than 95% of all label presented to the voles was recovered in the summed excreta. Seventy-four percent of the label in the total excreta was found in the fecal non-absorbed bulk. This means that greater than 20% of the presented 14C-RDX and plant-derived 14C-RDX-metabolites were absorbed by the animal’s digestive tracts over the time course of the experiment and modified prior to release. These materials were either metabolized to 14CO2 (8 to 10% of the total label) or removed as nitrogenous waste through the kidneys (10 to 14%). The feeding regimes were followed by a rapid, 2 to 3 day, clearing of label from the bulk feces with the cessation of exposure. Both 14C-urine and 14CO2 excretion continued after the feces cleared indicating

  7. Ovine ruminal microbes are capable of biotransforming hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX).

    PubMed

    Eaton, H L; De Lorme, M; Chaney, R L; Craig, A M

    2011-08-01

    Bioremediation is of great interest in the detoxification of soil contaminated with residues from explosives such as hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Although there are numerous forms of in situ and ex situ bioremediation, ruminants would provide the option of an in situ bioreactor that could be transported to the site of contamination. Bovine rumen fluid has been previously shown to transform 2,4,6-trinitrotoluene (TNT), a similar compound, in 4 h. In this study, RDX incubated in whole ovine rumen fluid was nearly eliminated within 4 h. Whole ovine rumen fluid was then inoculated into five different types of media to select for archaeal and bacterial organisms capable of RDX biotransformation. Cultures containing 30 μg mL(-1) RDX were transferred each time the RDX concentration decreased to 5 μg mL(-1) or less. Time point samples were analyzed for RDX biotransformation by HPLC. The two fastest transforming enrichments were in methanogenic and low nitrogen basal media. After 21 days, DNA was extracted from all enrichments able to partially or completely transform RDX in 7 days or less. To understand microbial diversity, 16S rRNA-gene-targeted denaturing gradient gel electrophoresis (DGGE) fingerprinting was conducted. Cloning and sequencing of partial 16S rRNA fragments were performed on both low nitrogen basal and methanogenic media enrichments. Phylogenetic analysis revealed similar homologies to eight different bacterial and one archaeal genera classified under the phyla Firmicutes, Actinobacteria, and Euryarchaeota. After continuing enrichment for RDX degraders for 1 year, two consortia remained: one that transformed RDX in 4 days and one which had slowed after 2 months of transfers without RDX. DGGE comparison of the slower transforming consortium to the faster one showed identical banding patterns except one band. Homology matches to clones from the two consortia identified the same uncultured Clostridia genus in both; Sporanaerobacter

  8. [Effects of 1,3-diphenyl-1,3-propanedione on neurotransmitter contents of brain in mice administered with cocaine].

    PubMed

    Chen, J; Wang, Y C; Cui, R; Liu, X X; Zhang, B X

    2016-06-18

    To investigate the possible reversal effects of 1,3-diphenyl-1,3-propanedione (DPPD) for cocaine-induced content changes of neurotransmitters of brain in mice. In this study, 36 healthy ICR male mice were randomly divided into control group, cocaine group, three DPPD pretreatment groups (200, 400, and 800 mg/kg) and DPPD alone group (800 mg/kg). The mice in control group were administered intragastrically with 1% Tween 80 for 3 d, and the mice in cocaine group were administered intragastrically with 1% Tween 80 for 2 d before cocaine was injected subcutaneously on the 3rd day. The mice in the three DPPD pretreatment groups were administered intragastrically (DPPD 200, 400, and 800 mg/kg) for 3 d before cocaine was injected subcutaneously 30 min after the administration on the 3rd day. The mice in DPPD alone group were administered intragastrically with DPPD at dose of 800 mg/kg for 3 d. The mice were sacrificed 20 minutes after cocaine injection. The contents of dopamine (DA) and 5-hydroxytryptamin (5-HT) in the mice brain were determined by high performance liquid chromatography (HPLC)-fluorescence detector, the contents of glutamic acid (Glu) and γ-aminobutyric acid (GABA) in the mice brain were determined by HPLC-ultraviolet detector, and the neurotransmitter levels were compared between the groups. The results showed that as compared with the control group, DA and GABA contents in cocaine group increased significantly (P<0.01 and P<0.05), while Glu content decreased (P<0.05). As compared with cocaine group, the DA levels in the three DPPD pretreatment groups (200, 400, and 800 mg/kg) all decreased significantly (P<0.01). In DPPD 200 mg/kg pre-administration group, GABA content decreased (P<0.05), and the contents of the four kinds of neurotransmitters had no statistical differences with those of the control group. DPPD may have potential reversal effects of the content changes of neurotransmitters in mice brain induced by cocaine at a lower dose.

  9. 1,3-Butadiene: linking metabolism, dosimetry, and mutation induction.

    PubMed Central

    Bond, J A; Csanady, G A; Gargas, M L; Guengerich, F P; Leavens, T; Medinsky, M A; Recio, L

    1994-01-01

    There is increasing concern for the potential adverse health effects of human exposures to chemical mixtures. To better understand the complex interactions of chemicals within a mixture, it is essential to develop a research strategy which provides the basis for extrapolating data from single chemicals to their behavior within the chemical mixture. 1,3-Butadiene (BD) represents an interesting case study in which new data are emerging that are critical for understanding interspecies differences in carcinogenic/genotoxic response to BD. Knowledge regarding mechanisms of BD-induced carcinogenicity provides the basis for assessing the potential effects of mixtures containing BD. BD is a multisite carcinogen in B6C3F1 mice and Sprague-Dawley rats. Mice exhibit high sensitivity relative to the rat to BD-induced tumorigenesis. Since it is likely that BD requires metabolic activation to mutagenic reactive epoxides that ultimately play a role in carcinogenicity of the chemical, a quantitative understanding of the balance of activation and inactivation is essential for improving our understanding and assessment of human risk following exposure to BD and chemical mixtures containing BD. Transgenic mice exposed to 625 ppm BD for 6 hr/day for 5 days exhibited significant mutagenicity in the lung, a target organ for the carcinogenic effect of BD in mice. In vitro studies designed to assess interspecies differences in the activation of BD and inactivation of BD epoxides reveal that significant differences exist among mice, rats, and humans. In general, the overall activation/detoxication ratio for BD metabolism was approximately 10-fold higher in mice compared to rats or humans.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7698092

  10. Benzene-1,3,5-tri-carb-oxy-lic acid-pyridinium-2-olate (1/3).

    PubMed

    Campos-Gaxiola, José J; Zamora Falcon, Felipe; Corral Higuera, Ramón; Höpfl, Herbert; Cruz-Enríquez, Adriana

    2014-04-01

    The asymmetric unit of the title compound, C9H6O6·3C5H5NO, contains one benzene-1,3,5-tri-carb-oxy-lic acid mol-ecule (BTA) and three pyridin-2-ol mol-ecules each present in the zwitterion form. In the crystal, these entities are linked through O-H⋯O(-) and N(+)-H⋯O(-) hydrogen bonds, forming sheets parallel to (10-1). These layers contain macrocyclic rings of composition [BTA]2[pyol]6 and with graph-set notation R (6) 8(44), which are stacked along c through π-π inter-actions [inter-centroid distances = 3.536 (2)-3.948 (3) Å]. They are inter-connected by N(+)-H⋯O(-) hydrogen-bonded chains of pyridin-2-ol mol-ecules running parallel to c, forming a three-dimensional network. There are also C-H⋯O hydrogen bonds present which reinforce the three-dimensional structure.

  11. Triphosgene-Pyridine Mediated Stereoselective Chlorination of Acyclic Aliphatic 1,3-Diols†

    PubMed Central

    Villalpando, Andrés; Saputra, Mirza A.; Tugwell, Thomas H.; Kartika, Rendy

    2015-01-01

    We describe a strategy to chlorinate stereocomplementary acyclic aliphatic 1,3-diols using a mixture of triphosgene and pyridine. While 1,3-anti diols readily led to 1,3-anti dichlorides, 1,3-syn diols must be converted to 1,3-syn diol monosilylethers to access the corresponding 1,3-syn dichlorides. These dichlorination protocols were operationally simple, very mild, and readily tolerated by advanced synthetic intermediates. PMID:26323232

  12. Alkyltransferase-mediated Toxicity of 1,3-Butadiene Diepoxide

    PubMed Central

    Kalapila, Aley G.; Loktionova, Natalia A.; Pegg, Anthony E.

    2008-01-01

    Human O6-alkylguanine-DNA alkyltransferase (hAGT) expression increases mutations and cytotoxicity following exposure to 1,3-butadiene diepoxide (BDO) and hAGT-DNA cross-links are formed in the presence of BDO. We have used hAGT mutants to investigate the mechanism of cross-link formation and genotoxicity. Formation of a hAGT-DNA conjugate in vitro was observed with C145S and C145A mutant proteins but was considerably diminished with the C145A/C150S double mutant confirming that cross-linking primarily involves either of these two cysteine residues, which are located in the active site pocket of the protein. Cross-link formation by BDO occurred both via (a) an initial reaction of BDO with hAGT followed by attack of the reactive hAGT complex on DNA, and (b) the initial reaction of BDO with DNA followed by a reaction between hAGT and the DNA adduct. These results differ from those with 1,2-dibromoethane (DBE) where Cys145 is the only site of attachment and pathway (b) does not occur. The complex formed between hAGT at Cys145 and BDO was very unstable in aqueous solution. However, the BDO-hAGT complex at Cys150 exhibited stability for more than 1 h. The effect of hAGT and mutants on BDO-induced genotoxicity was studied in E. coli using the forward assay to rifampicin resistance. Both mutations and cell killing were greatly increased by wild type hAGT and there was a smaller but significant effect with the C145A mutant. The R128A mutant and R128A/C145A and C145A/C150S double mutants were ineffective supporting the hypothesis that the formation of hAGT-DNA cross-links is responsible for the enhanced genotoxicity detected in this biological system. In the absence of hAGT, there were equal proportions of G:C to A:T transitions, G:C to T:A transversions and A:T to T:A transversions. Wild type hAGT expression yielded significantly greater G:C to A:T and A:T to G:C transitions, whereas C145A mutant expression resulted in more transitions and transversions at A:T base

  13. 1.3 micron polarization insensitive tapered waveguide devices

    NASA Astrophysics Data System (ADS)

    Uppal, Kushant

    This work discusses the details of MOCVD growth, characterization and fabrication of 1.3mum tapered waveguide polarization insensitive devices. Compressive, tensile and lattice matched material was first developed. Broad area lasers with 3 compressive strained quantum wells (QWs) have a threshold current density (Jsbth) of 234A/cmsp2 and with 3 tensile QWs have a Jsbth of 277A/cmsp2 which are comparable to the best values reported in the literature. Polarization insensitive devices with active regions containing both tensile and compressive QWs were then developed using an edge photoluminescence characterization technique. This technique is useful in matching the wavelengths of the TE and TM modes which is an important requirement for obtaining dual polarization characteristics. Broad area lasers fabricated from these materials demonstrated dual polarization lasing characteristics and the amplifiers obtained after AR coating the facets had polarization insensitivity of about 1dB between the TE and TM modes. Tapered waveguide buried heterostructure devices with mixed quantum well (MQW) active regions were then developed using a combination of wet and dry ECR etching which is much simpler than any of the techniques used today for obtaining spot-size transformation. Threshold currents as low as 20mA were obtained for the MQW devices. Single mode far-field FWHM angle reduction of about 12sp°{-}15sp° were obtained in both the lateral and vertical directions. This results in a 4dB improvement of the coupling efficiency of the tapered end over the untapered end of the device. A waveguide loss calculation based on experimental data was done to find the excess loss due to the tapered section of the waveguide. InGaP based 0.98mum and 0.8mum short wavelength broad are lasers were also studied. The effect of the waveguide layer on the device characteristics was examined in the case of the 0.98mum lasers. Low threshold current densities of 72A/cmsp2 were achieved for these

  14. Quantitation of DNA Adducts Induced by 1,3-Butadiene

    NASA Astrophysics Data System (ADS)

    Sangaraju, Dewakar; Villalta, Peter W.; Wickramaratne, Susith; Swenberg, James; Tretyakova, Natalia

    2014-07-01

    Human exposure to 1,3-butadiene (BD) present in automobile exhaust, cigarette smoke, and forest fires is of great concern because of its potent carcinogenicity. The adverse health effects of BD are mediated by its epoxide metabolites such as 3,4-epoxy-1-butene (EB), which covalently modify genomic DNA to form promutagenic nucleobase adducts. Because of their direct role in cancer, BD-DNA adducts can be used as mechanism-based biomarkers of BD exposure. In the present work, a mass spectrometry-based methodology was developed for accurate, sensitive, and precise quantification of EB-induced N-7-(1-hydroxy-3-buten-2-yl) guanine (EB-GII) DNA adducts in vivo. In our approach, EB-GII adducts are selectively released from DNA backbone by neutral thermal hydrolysis, followed by ultrafiltration, offline HPLC purification, and isotope dilution nanoLC/ESI+-HRMS3 analysis on an Orbitrap Velos mass spectrometer. Following method validation, EB-GII lesions were quantified in human fibrosarcoma (HT1080) cells treated with micromolar concentrations of EB and in liver tissues of rats exposed to sub-ppm concentrations of BD (0.5-1.5 ppm). EB-GII concentrations increased linearly from 1.15 ± 0.23 to 10.11 ± 0.45 adducts per 106 nucleotides in HT1080 cells treated with 0.5-10 μM DEB. EB-GII concentrations in DNA of laboratory rats exposed to 0.5, 1.0, and 1.5 ppm BD were 0.17 ± 0.05, 0.33 ± 0.08, and 0.50 ± 0.04 adducts per 106 nucleotides, respectively. We also used the new method to determine the in vivo half-life of EB-GII adducts in rat liver DNA (2.20 ± 0.12 d) and to detect EB-GII in human blood DNA. To our knowledge, this is the first application of nanoLC/ESI+-HRMS3 Orbitrap methodology to quantitative analysis of DNA adducts in vivo.

  15. Alkyltransferase-mediated toxicity of 1,3-butadiene diepoxide.

    PubMed

    Kalapila, Aley G; Loktionova, Natalia A; Pegg, Anthony E

    2008-09-01

    Human O(6)-alkylguanine-DNA alkyltransferase (hAGT) expression increases mutations and cytotoxicity following exposure to 1,3-butadiene diepoxide (BDO), and hAGT-DNA cross-links are formed in the presence of BDO. We have used hAGT mutants to investigate the mechanism of cross-link formation and genotoxicity. Formation of a hAGT-DNA conjugate in vitro was observed with C145S and C145A mutant proteins but was considerably diminished with the C145A/C150S double mutant confirming that cross-linking primarily involves either of these two cysteine residues, which are located in the active site pocket of the protein. Cross-link formation by BDO occurred both via (a) an initial reaction of BDO with hAGT followed by attack of the reactive hAGT complex on DNA, and (b) the initial reaction of BDO with DNA followed by a reaction between hAGT and the DNA adduct. These results differ from those with 1,2-dibromoethane (DBE) where Cys(145) is the only site of attachment and pathway (b) does not occur. The complex formed between hAGT at Cys(145) and BDO was very unstable in aqueous solution. However, the BDO-hAGT complex at Cys(150) exhibited stability for more than 1 h. The effect of hAGT and mutants on BDO-induced genotoxicity was studied in E. coli using the forward assay to rifampicin resistance. Both mutations and cell killing were greatly increased by wild type hAGT, and there was a smaller but significant effect with the C145A mutant. The R128A mutant and R128A/C145A and C145A/C150S double mutants were ineffective, supporting the hypothesis that the formation of hAGT-DNA cross-links is responsible for the enhanced genotoxicity detected in this biological system. In the absence of hAGT, there were equal proportions of G:C to A:T transitions, G:C to T:A transversions, and A:T to T:A transversions. Wild type hAGT expression yielded significantly greater G:C to A:T and A:T to G:C transitions, whereas C145A mutant expression resulted in more transitions and transversions at A

  16. Magnetic Resonance Studies of Irradiated 1,3-DIMETHYLXANTHINE.

    NASA Astrophysics Data System (ADS)

    Majid, Ekramul

    ESR and ENDOR techniques were used to study the x-ray induced damage in single crystals of the organic molecule theophylline (1,3 dimethylxanthine). A K-band spectrometer operating at 25GHz was used for ESR and ENDOR measurements. X-irradiation was carried out at 25K, 80K, and at room temperature, and spectra were observed as the temperature was varied. The low temperature experiments were achieved by using a closed cycle helium refrigeration system. A detailed analysis was made of the spectra, and four different radicals (R1, R2, R3, and R4) were identified after irradiation. Radical R1 was identified as a hydrogen atom radical, stable from 20 to 60K; radical R2 was identified as an anion radical stable from 20 to 80K; radical R3 was formed by hydrogen abstraction from the methyl group at C(10); and radical R4 was found to be a hydrogen-adduct species. Radical R3 was characterized by the following parameters: (1) Methylene hydrogen hyperfine tensor values of 28.8, 17.8, 13.2 G, and 27.7, 18.9, 8.8 G; (2) g-tensor values of 2.0012, 2.0019, and 2.0036; (3) Isotropic methyl group coupling of 4 G; (4) A spin density of 0.68 on C(10). Radical R4 was characterized by (1) an isotropic methelene hydrogen coupling of 37.1 G; (2) a maximum nitrogen coupling at N(9) of 21 G; (3) hydrogen coupling tensor values, due to protonation at N(9), of 12.0, 8.5, and 3.0 G; (4) rotating methyl group tensor values, at N(1), of 2.38, 2.71, and 5.19 MHz; (5) g-tensor values of 2.0012, 2.0033, and 2.0049; (6) spin density of 0.38 on N(9). A kinetics study indicated that radical R3 converts to radical R4 at about 160 K.

  17. Magnetic resonance studies of irradiated 1,3-dimethylxanthine

    SciTech Connect

    Majid, E.

    1989-01-01

    ESR and ENDOR techniques were used to study the x-ray induced damage in single crystals of the organic molecule theophylline (1,3 dimethylxanthine). A K-band spectrometer operating at 25GHz was used for ESR and ENDOR measurements. X-irradiation was carried out at 25K, 80K, and at room temperature, and spectra were observed as the temperature was varied. The low temperature experiments were achieved by using a closed cycle helium refrigeration system. A detailed analysis was made of the spectra, and four different radicals (R1, R2, R3, and R4) were identified after irradiation. Radical R1 was identified as a hydrogen atom radical, stable from 20 to 6OK; radical R2 was identified as an anion radical stable from 20 to 8OK; radical R3 was formed by hydrogen abstraction from the methyl group at C(10); and radical R4 was found to be a hydrogen-adduct species. Radical R3 was characterized by the following parameters: (1) Methylene hydrogen hyperfine tensor values of 28.8, 17.8, 13.2 G, and 27.7, 18.9, 8.8 G; (2) g-tensor values of 2.0012, 2.0019, and 2.0036; (3) Isotropic methyl group coupling of 4 G; (4) A spin density of 0.68 on C(10). Radical R4 was characterized by (1) an isotropic methelene hydrogen coupling of 37.1 G; (2) a maximum nitrogen coupling at N(9) of 21 G; (3) hydrogen coupling tensor values, due to protonation at N(g), of 12.0, 8.5, and 3.0 G; (4) rotating methyl group tensor values, at N(l), of 2.38, 2.71, and 5.19 MHz; (5) g-tensor values of 2.0012, 2.0033, and 2.0049; (6) spin density of 0.38 on N(9). A kinetics study indicated that radical R3 converts to radical R4 at about 160 K.

  18. Chemistry Comes Alive! Vol. 3: Abstract of Special Issue 23 on CD-ROM

    NASA Astrophysics Data System (ADS)

    Jacobsen, Jerrold J.; Moore, John W.

    1999-09-01

    Literature Cited

    1. Jacobsen, J. J.; Moore, J. W. Chemistry Comes Alive! Vol. 1 [CD-ROM]; J. Chem. Educ. Software 1998, SP 18.

    2. Jacobsen, J. J.; Moore, J. W. Chemistry Comes Alive! Vol. 2 [CD-ROM]; J. Chem. Educ. Software 1998, SP 21.

    3. Moore, J. W.; Jacobsen, J. J.; Hunsberger, L. R.; Gammon, S. D.; Jetzer, K. H.; Zimmerman, J. ChemDemos Videodisc; J. Chem. Educ. Software 1994, SP 8.

    4. Moore, J. W.; Jacobsen, J. J.; Jetzer, K. H.; Gilbert, G.; Mattes, F.; Phillips, D.; Lisensky, G.; Zweerink, G. ChemDemos II; J. Chem. Educ. Software 1996, SP 14.

    5. Jacobsen, J. J.; Jetzer, K. H.; Patani, N.; Zimmerman, J. Titration Techniques Videodisc; J. Chem. Educ. Software 1995, SP9.

  19. Synthesis and photochemical properties of 1,3-di-9-anthryl-2-propanol, 1,3-di-9-anthrylacetone, and related propano-linked anthracenes

    SciTech Connect

    Becker, H.D.; Amin, K.A. )

    1989-06-23

    9-anthryllithium reacts with epichlorohydrin to give 1,3-di-9-anthryl-2-propanol via 3-(9-anthryl)-1-chloro-2-hydroxypropane and 3-(9-anthryl)-1,2-epoxypropane. Oxidation of dianthryl-2-propanol with Dess-Martin reagent gave 1,3-di-9-anthrylacetone. Various other 1,3-bichromophoric anthracenes were synthesized by way of C-methylation of dianthrylacetone, 1,3-di-9-anthryl-1-propanone, and 1,3-di-9-anthrylpropenone. 9-Anthrylacetone, formed as byproduct in the reaction of anthryllithium with epichlorohydrin, was prepared from 9-anthrylacetaldehyde by Grignard reaction with methylmagnesium iodide and subsequent oxidation. The excited-state properties of dianthryl-2-propanol, dianthrylacetone, 1,3-di-9-anthryl-2-methyl-1-propanone, 1,3-di-9-anthryl-2-methyl-2-propanol, diastereomeric 1,3-di-9-anthryl-1-butanols, 1,3-di-9-anthryl-2-butanone, 1,3-di-9-anthryl-1-butanone, and diastereomeric 1,3-di-9-anthryl-2-methyl-1-butanones have been evaluated by fluorescence quantum yields, and by quantum yields for the isomerization by intramolecular 4{pi} + 4{pi} cycloaddition. Dianthryl-2-propanol, 1,3-di-9-antrhyl-2-methyl-2-propanol, dianthrylacetone, diastereomeric 1,3-di-9-anthryl-1-butanols, and 1,3-di-9-anthryl-2-butanone isomerize in their excited singlet state with quantum yields of 0.046, 0.021, 0.25, 0.23, and 0.22, respectively. The photochemical isomerization of those 1,3-bichromophoric anthrancenes which are characterized by a 9-anthroyl chromophore involves the excited triplet state, and the cyclization quantum yield may be as high as 0.72.

  20. USSR Report, Space Biology and Aerospace Medicine, Vol. 18, No. 2, March-April 1984.

    DTIC Science & Technology

    2007-11-02

    experimental simulation of absorption processes in tissue-equivalent phantoms of different configurations were found to be the most useful [19-21...Vol 49, 1978, pp 53-57. 18. Selye, H., "Essays About tbe Adaptation Syndrome ," Moscow, 1960. 19. Paul, P., in "Metabolic Adaptation to Prolonged...winterers’ syndrome . The most frequently observed manifestations of the winterers’ syndrome are depression, hostility, irritability, sleep disorders

  1. High-voltage performance of LiNi1/3Co1/3Mn1/3O2/graphite batteries with di(methylsulfonyl) methane as a new sulfone-based electrolyte additive

    NASA Astrophysics Data System (ADS)

    Zheng, Xiangzhen; Huang, Tao; Pan, Ying; Wang, Wenguo; Fang, Guihuang; Wu, Maoxiang

    2015-10-01

    In order to overcome the capacity fading of LiNi1/3Co1/3Mn1/3O2/graphite lithium-ion batteries (LIBs) cycled in the voltage range of 3.0-4.6 V (vs. Li/Li+), di(methylsulfonyl) methane (DMSM) is evaluated as a new electrolyte additive. This study demonstrated that DMSM additive in the electrolyte can dramatically improve the cycling performance of LiNi1/3Co1/3Mn1/3O2/graphite cell at a higher voltage operation. In addition, the effects of this additive are characterized by linear sweep voltammetry (LSV), electrochemical impedance spectroscopy (EIS), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS), as well as transmission electron microscopy (TEM). With the addition of 0.1 wt. % DMSM into the electrolyte, the capacity loss of the LiNi1/3Co1/3Mn1/3O2/graphite cell cycled at the voltage range of 3.0-4.6 V significantly decreased from 39.0 % to 19.9 % after 100 cycles, which shows the promising application of DMSM at higher voltage. The enhanced cycling performance is attributed to the thinner cathode electrolyte interface film originated from DMSM on the LiNi1/3Co1/3Mn1/3O2, which not only resulted in lower interfacial impedance, but also protected the decomposition of electrolyte and prevented the cathode transition metal dissolution at the high voltage.

  2. Synthesis of Novel 2,5-Disubstituted-1,3,4-thiadiazoles Clubbed 1,2,4-Triazole, 1,3,4-Thiadiazole, 1,3,4-Oxadiazole and/or Schiff Base as Potential Antimicrobial and Antiproliferative Agents.

    PubMed

    Rezki, Nadjet; Al-Yahyawi, Amjad M; Bardaweel, Sanaa K; Al-Blewi, Fawzia F; Aouad, Mohamed R

    2015-09-02

    In the present study, a new series of 2,5-disubstituted-1,3,4-thiadiazole tethered 1,2,4-triazole, 1,3,4-thiadiazole, 1,3,4-oxadiazole and Schiff base derivatives were synthesized and characterized by IR, ¹H-NMR, (13)C-NMR, MS and elemental analyses. All compounds were screened for their antibacterial, antifungal and antiproliferative activity. Some of the synthesized derivatives have displayed promising biological activity.

  3. An Efficient Synthesis of Bis-indolylindane-1,3-diones, Indan-1,3-diones, and Indene-1,3(2H)-denies Using [Hbim]BF4 Ionic Medium

    PubMed Central

    Poor Heravi, Mohammad Reza

    2013-01-01

    We prepared a brand new molecule in one step for the synthesis of bis-indolylindane-1,3-dione and indan-1,3-diones from the reaction of ninhydrin and 3 substituted/unsubstituted indoles using [Hbim]BF4 ionic liquid in excellent yields. The method was also used for the synthesis of novel indene-1,3(2H)-denies derivatives. PMID:24455297

  4. Synthesis of new visible light active photocatalysts of Ba(In(1/3)Pb(1/3)M'(1/3))O3 (M' = Nb, Ta): a band gap engineering strategy based on electronegativity of a metal component.

    PubMed

    Hur, Su Gil; Kim, Tae Woo; Hwang, Seong-Ju; Park, Hyunwoong; Choi, Wonyong; Kim, Sung Jin; Kim, Sun Jin; Choy, Jin-Ho

    2005-08-11

    We have synthesized new, efficient, visible light active photocatalysts through the incorporation of highly electronegative non-transition metal Pb or Sn ions into the perovskite lattice of Ba(In(1/3)Pb(1/3)M'(1/3))O3 (M = Sn, Pb; M' = Nb, Ta). X-ray diffraction, X-ray absorption spectroscopic, and energy dispersive spectroscopic microprobe analyses reveal that tetravalent Pb or Sn ions exist in the B-site of the perovskite lattice, along with In and Nb/Ta ions. According to diffuse UV-vis spectroscopic analysis, the Pb-containing quaternary metal oxides Ba(In(1/3)Pb(1/3)M'(1/3))O3 possess a much narrower band gap (E(g) approximately 1.48-1.50 eV) when compared to the ternary oxides Ba(In(1/2)M'(1/2))O3 (E(g) approximately 2.97-3.30 eV) and the Sn-containing Ba(In(1/3)Sn(1/3)M'(1/3))O3 derivatives (E(g) approximately 2.85-3.00 eV). Such a variation of band gap energy upon the substitution is attributable to the broadening of the conduction band caused by the dissimilar electronegativities of the B-site cations. In contrast to the ternary or the Sn-substituted quaternary compounds showing photocatalytic activity under UV-vis irradiation, the Ba(In(1/3)Pb(1/3)M'(1/3))O3 compounds induce an efficient photodegradation of 4-chlorophenol under visible light irradiation (lambda > 420 nm). The present results highlight that the substitution of electronegative non-transition metal cations can provide a very powerful way of developing efficient visible light harvesting photocatalysts through tuning of the band structure of a semiconductive metal oxide.

  5. Preparation and Rate Capability of Carbon Coated LiNi1/3Co1/3Mn1/3O2 as Cathode Material in Lithium Ion Batteries.

    PubMed

    Yang, Chaofan; Zhang, Xiaosong; Huang, Mengyi; Huang, Junjie; Fang, Zebo

    2017-04-12

    LiNi1/3Co1/3Mn1/3O2 (NCM) is regarded as a promising material for next-generation lithium ion batteries due to the high capacity, but its practical applications are limited by the poor electronic conductivity. Here, a one-step method is used to prepare carbon coated LiNi1/3Co1/3Mn1/3O2 (NCM/C) by applying active carbon as reaction matrix. TEM shows LiNi1/3Co1/3Mn1/3O2 particles are homogeneously coated by carbon with a thickness about 10 nm. NCM/C delivers the discharge capacity of 191.2 mAh g(-1) at 0.5 C (85 mA g(-1)) with a columbic efficiency of 91.1%. At 40 C (6800 mA g(-1)), the discharge capacity of NCM/C is 54.6 mAh g(-1), whereas NCM prepared through sol-gel route only delivers 13.2 mAh g(-1). After 100 charge and discharge cycles at 1 C (170 mA g(-1)) the capacity retention is 90.3% for NCM/C, whereas it is only 72.4% for NCM. The superior charge/discharge performance of NCM/C owes much to the carbon coating layer, which is not only helpful to increase the electronic conductivity but also contributive to inhibit the side reactions between LiNi1/3Co1/3Mn1/3O2 and the liquid electrolyte.

  6. Action of an endo-β-1,3(4)-glucanase on cellobiosyl unit structure in barley β-1,3:1,4-glucan

    PubMed Central

    Kuge, Takao; Nagoya, Hiroki; Tryfona, Theodora; Kurokawa, Tsunemi; Yoshimi, Yoshihisa; Dohmae, Naoshi; Tsubaki, Kazufumi; Dupree, Paul; Tsumuraya, Yoichi; Kotake, Toshihisa

    2015-01-01

    β-1,3:1,4-Glucan is a major cell wall component accumulating in endosperm and young tissues in grasses. The mixed linkage glucan is a linear polysaccharide mainly consisting of cellotriosyl and cellotetraosyl units linked through single β-1,3-glucosidic linkages, but it also contains minor structures such as cellobiosyl units. In this study, we examined the action of an endo-β-1,3(4)-glucanase from Trichoderma sp. on a minor structure in barley β-1,3:1,4-glucan. To find the minor structure on which the endo-β-1,3(4)-glucanase acts, we prepared oligosaccharides from barley β-1,3:1,4-glucan by endo-β-1,4-glucanase digestion followed by purification by gel permeation and paper chromatography. The endo-β-1,3(4)-glucanase appeared to hydrolyze an oligosaccharide with degree of polymerization 5, designated C5-b. Based on matrix-assisted laser desorption/ionization (MALDI) time-of-flight (ToF)/ToF-mass spectrometry (MS)/MS analysis, C5-b was identified as β-Glc-1,3-β-Glc-1,4-β-Glc-1,3-β-Glc-1,4-Glc including a cellobiosyl unit. The results indicate that a type of endo-β-1,3(4)-glucanase acts on the cellobiosyl units of barley β-1,3:1,4-glucan in an endo-manner. PMID:26027730

  7. 3, 3‧-sulfonyldipropionitrile: A novel electrolyte additive that can augment the high-voltage performance of LiNi1/3Co1/3Mn1/3O2/graphite batteries

    NASA Astrophysics Data System (ADS)

    Zheng, Xiangzhen; Huang, Tao; Pan, Ying; Wang, Wenguo; Fang, Guihuang; Ding, Kaining; Wu, Maoxiang

    2016-07-01

    Our study shows that 3, 3‧-sulfonyldipropionitrile (SDPN), as an electrolyte additive, can dramatically enhance the performance of LiNi1/3Co1/3Mn1/3O2/graphite lithium-ion batteries (LIBs) at high voltages (3.0-4.6 V vs. Li/Li+). After adding 0.2 wt% SDPN to the electrolytes; i.-e., 1.0 M LiPF6-EC/DMC/EMC, the capacity for the LiNi1/3Co1/3Mn1/3O2/graphite cell to retain power was significantly increased from 59.5% to 77.3% after only 100 cycles, which shows the promising application of SDPN at higher voltages. Density functional theory calculation results indicate that SDPN had reduced oxidative constancy compared to ethylene carbonate (EC), dimethyl carbonate (DMC) and ethyl methyl carbonate (EMC). The effects of SDPN on cell performance are characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), electrochemical impedance spectroscopy (EIS) and X-ray photoelectron spectroscopy (XPS). The testing results indicate that the improvement in cycling activity could be ascribed to the thinner cathode electrolyte interface film originated from SDPN on the LIB using LiNi1/3Co1/3Mn1/3O2, which reduced the interfacial resistance at a high voltage, but also protected the decomposition of electrolytes and suppressed transition metal dissolution.

  8. Facile synthesis and electrochemical properties of layered Li[Ni1/3Mn1/3Co1/3]O2 as cathode materials for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Zhu, Yingfang; You, Jingwei; Huang, Haifu; Li, Guangxu; Zhou, Wenzheng; Guo, Jin

    2017-06-01

    A layered oxide Li[Ni1/3Mn1/3Co1/3]O2 was synthesized by an oxalate co-precipitation method. The morphology, structural and composition of the as-papered samples synthesized at different calcination temperatures were investigated. The results indicate that calcination temperature of the sample at 850°C can improve the integrity of structural significantly. The effect of calcination temperature varying from 750°C to 950°C on the electrochemical performance of Li[Ni1/3Mn1/3Co1/3]O2, cathode material of lithiumion batteries, has been investigated. The results show that Li[Ni1/3Mn1/3Co1/3]O2 calcined at 850°C possesses a higher capacity retention and better rate capability than other samples. The reversible capacity is up to 178.6 mA•h•g-1, and the discharge capacity still remains 176.3 mA•h•g-1 after 30 cycles. Moreover, our strategy provides a simple and highly versatile route in fabricating cathode materials for lithium-ion batteries.

  9. 3,3'-(Ethylenedioxy)dipropiononitrile as an Electrolyte Additive for 4.5 V LiNi1/3Co1/3Mn1/3O2/Graphite Cells.

    PubMed

    Wang, Chengyun; Yu, Le; Fan, Weizhen; Liu, Jiangwen; Ouyang, Liuzhang; Yang, Lichun; Zhu, Min

    2017-03-22

    3,3'-(Ethylenedioxy)dipropiononitrile (EDPN) has been introduced as a novel electrolyte additive to improve the oxidation stability of the conventional carbonate-based electrolyte for LiNi1/3Co1/3Mn1/3O2/graphite pouch batteries cycled under high voltage. Mixing 0.5 wt % EDPN into the electrolyte greatly improved the capacity retention, from 32.5% to 83.9%, of cells cycled for 100 times in the range 3.0-4.5 V with a rate of 1C. The high rate performance (3C and 5C) was also improved, while the cycle performance was similar to that of the cell without EDPN when cycled between 3.0 and 4.2 V. Further evidence of a stable protective interphase film can be formed on the LiNi1/3Co1/3Mn1/3O2 electrode surface due to the presence of EDPN in the electrolyte. This process effectively suppresses the oxidative decomposition of electrolyte and the growth in the charge-transfer resistance of the LiNi1/3Co1/3Mn1/3O2 electrode and greatly improves the high-voltage electrochemical properties for the cells. In contrast, EDPN has no positive effect on the cyclic performance of the LiNi0.5Co0.2Mn0.3O2-based cell under high operating voltage.

  10. LIP: The Livermore Interpolation Package, Version 1.3

    SciTech Connect

    Fritsch, F N

    2011-01-04

    This report describes LIP, the Livermore Interpolation Package. Because LIP is a stand-alone version of the interpolation package in the Livermore Equation of State (LEOS) access library, the initials LIP alternatively stand for the ''LEOS Interpolation Package''. LIP was totally rewritten from the package described in [1]. In particular, the independent variables are now referred to as x and y, since the package need not be restricted to equation of state data, which uses variables {rho} (density) and T (temperature). LIP is primarily concerned with the interpolation of two-dimensional data on a rectangular mesh. The interpolation methods provided include piecewise bilinear, reduced (12-term) bicubic, and bicubic Hermite (biherm). There is a monotonicity-preserving variant of the latter, known as bimond. For historical reasons, there is also a biquadratic interpolator, but this option is not recommended for general use. A birational method was added at version 1.3. In addition to direct interpolation of two-dimensional data, LIP includes a facility for inverse interpolation (at present, only in the second independent variable). For completeness, however, the package also supports a compatible one-dimensional interpolation capability. Parametric interpolation of points on a two-dimensional curve can be accomplished by treating the components as a pair of one-dimensional functions with a common independent variable. LIP has an object-oriented design, but it is implemented in ANSI Standard C for efficiency and compatibility with existing applications. First, a ''LIP interpolation object'' is created and initialized with the data to be interpolated. Then the interpolation coefficients for the selected method are computed and added to the object. Since version 1.1, LIP has options to instead estimate derivative values or merely store data in the object. (These are referred to as ''partial setup'' options.) It is then possible to pass the object to functions that

  11. Thermodynamic characteristics of adsorption of some 1,3,4-oxadiazoles and 1,2,4,5-tetrazines from water-acetonitrile solutions on phenyl-bonded silica gel

    NASA Astrophysics Data System (ADS)

    Saifutdinov, B. R.; Pimerzin, A. A.

    2013-04-01

    Standard differential molar changes of the Gibbs energy, enthalpy, and entropy during adsorption in the Henry region of 17 derivatives of 1,3,4-oxadiazole and 1,2,4,5-tetrazine from water-acetonitrile solutions with acetonitrile concentrations of 20 to 80 vol % and a variation step of 5 vol % on silica gel with grafted phenyl groups at column temperatures of 313.15 to 333.15 K with at a step of 5 K are determined under dynamic conditions by high-performance liquid chromatography. The dependence of the thermodynamic characteristics of adsorption on the molecular structure of adsorbates is discussed. It is established that the absolute values of the changes in the Gibbs energy and enthalpy during adsorption as a whole increase with increasing Van der Waals surface area and volume of the adsorbate molecules, while the adsorption of most 1,3,4-oxadiazoles is characterized by a dependence close to isentropic. It is assumed that the determining role in the change of entropy during adsorption from solutions is played by the polarity of the adsorbate molecule and the conformational flexibility of its substituents.

  12. Mechanical and biological properties of hydroxyapatite reinforced with 40 vol. % titanium particles for use as hard tissue replacement.

    PubMed

    Chu, Chenglin; Xue, Xiaoyan; Zhu, Jingchuan; Yin, Zhongda

    2004-06-01

    Hydroxyapatite (HA)-based composite reinforced with 40 vol. % Ti particles was fabricated by the optimal technical condition of hot pressing technique. The mechanical and biological properties of the composite were studied by mechanical and in vivo methods. The experimental results show that HA and Ti phases are the predominant phases of the composite with partially decomposition of HA phase into alpha-Ca3(PO4)2 and Ca4O(PO4)2. Comparing with HA-20 vol. % Ti composite manufactured under the same conditions, HA-40 vol. % Ti composite with similar elastic modulus (79.3 GPa) and Vicker's hardness (2.94GPa) has a higher bending strength (92.1 MPa). Moreover, fracture toughness of HA-40 vol. % Ti composite with crack bridging as the chief toughening mechanisms can reach 2.692 MPa m(-1) , which can meet the basic toughness demand of the replaced hard tissues for heavy load-bearing applications. Work of fracture of HA-40 vol. % Ti composite is 91.2J m2, which is 22.9 times that of pure HA ceramic and even 2.4 times that of Al2O3 bioceramic. The results of in vivo studies show HA-40 vol. % Ti composite has excellent biocompatibility and could integrate with bone. In the early stage after the implantation of the samples, the osteointegration ability of the composite is better than that of pure titanium.

  13. Molecular Dynamics Study of the Primitive Model of 1-3 Electrolyte Studies

    DTIC Science & Technology

    1989-07-01

    Theoretical Chemistry Vol. 5. Statistical Mechanics , ed. B.J. Berne (Plenum Press, New York, 1977). [31 E. Waisman and J.L. Lebowitz, J. Chem. Phys., 56 (1972...works. In the MD simulations, better statistics can be achieved. For instance, in order to calculate the virial contribution to the equation of state for...MD results within statistical errors. Although spe- cial iterative techniques are necessary in order to reach convergence [4], HNC theory h-s also

  14. 21 CFR 177.1345 - Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... polycondensation of isophthalic acid and terephthalic acid with ethylene glycol and 1,3-bis(2-hydroxyethoxy)benzene... 21 Food and Drugs 3 2010-04-01 2009-04-01 true Ethylene/1,3-phenylene oxyethylene isophthalate... Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer. Ethylene/1, 3-phenylene...

  15. Genotoxicity of 1,3-butadiene and its epoxy intermediates.

    PubMed

    Walker, Vernon E; Walker, Dale M; Meng, Quanxin; McDonald, Jacob D; Scott, Bobby R; Seilkop, Steven K; Claffey, David J; Upton, Patricia B; Powley, Mark W; Swenberg, James A; Henderson, Rogene F

    2009-08-01

    Current risk assessments of 1,3-butadiene (BD*) are complicated by limited evidence of its carcinogenicity in humans. Hence, there is a critical need to identify early events and factors that account for the heightened sensitivity of mice to BD-induced carcinogenesis and to deter-mine which animal model, mouse or rat, is the more useful surrogate of potency for predicting health effects in BD-exposed humans. HEI sponsored an earlier investigation of mutagenic responses in mice and rats exposed to BD, or to the racemic mixture of 1,2-epoxy-3-butene (BDO) or of 1,2,3,4-diepoxybutane (BDO2; Walker and Meng 2000). In that study, our research team demonstrated (1) that the frequency of mutations in the hypoxanthine-guanine phosphoribosyl transferase (Hprt) gene of splenic T cells from BD-exposed mice and rats could be correlated with the species-related differences in cancer susceptibility; (2) that mutagenic-potency and mutagenic-specificity data from mice and rats exposed to BD or its individual epoxy intermediates could provide useful information about the BD metabolites responsible for mutations in each species; and (3) that our novel approach to measuring the mutagenic potency of a given chemical exposure as the change in Hprt mutant frequencies (Mfs) over time was valuable for estimating species-specific differences in mutagenic responses to BD exposure and for predicting the effect of BD metabolites in each species. To gain additional mode-of-action information that can be used to inform studies of human responses to BD exposure, experiments in the current investigation tested a new set of five hypotheses about species-specific patterns in the mutagenic effects in rodents of exposure to BD and BD metabolites: 1. Repeated BD exposures at low levels that approach the occupational exposure limit for BD workers (set by the U.S. Occupational Safety and Health Administration) are mutagenic in female mice. 2. The differences in mutagenic responses of the Hprt gene to BD

  16. A new colorimetric method to quantify β-1,3-1,6-glucans in comparison with total β-1,3-glucans in edible mushrooms.

    PubMed

    Nitschke, Jörg; Modick, Hendrik; Busch, Ekkehard; von Rekowski, Reimund Wantoch; Altenbach, Hans-Josef; Mölleken, Helga

    2011-07-15

    Mushroom β-glucans are known for their activity as biological response modifiers and anticarcinogenic agents. β-1,3-1,6 Branched glucans with a triple helix tertiary structure are recognised as the most potent ones. In the present work, a colorimetric method for β-1,3-1,6-glucan quantification based on the dye Congo red is introduced. This method is specific for β-glucans with a triple helix. The β-1,3-1,6-glucan content of mycelia and fruiting bodies from various mushrooms was determined and compared with the total β-1,3-glucan content, measured by a fluorimetric method. The results show equal amounts of β-1,3-1,6- and total β-1,3-glucans in the analysed species but obvious differences between mycelia and fruiting bodies. On the average, 3% of mycelia and 8% of fruiting body dry mass consist of β-1,3-1,6-glucans. The average percentage of β-1,3-1,6-glucans in the total β-1,3-glucan content differs between mycelia (46%) and fruiting bodies (87%). Copyright © 2011 Elsevier Ltd. All rights reserved.

  17. Chemo-, regio-, and stereoselective cyclizations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes with alpha-chloroacetic acid chlorides and alpha-chloroacetic acetals.

    PubMed

    Langer, P; Krummel, T

    2001-04-17

    Treatment of 1,3-bis(trimethylsilyloxy)-1,3-butadienes with alpha-chlorocarboxylic acid chlorides resulted in chemo- and regioselective formation of 6-chloro3,5-dioxo esters, which were regioselectively converted into functionalised 3(2H)furanones. Chemo- and regioselective condensation of 1,3-bis(trimethylsilyloxy)-1,3-butadienes with alpha-chloroacetic dimethyl acetal afforded 6-chloro-5-methoxy-3-oxo esters, which could be regio- and stereoselectively transformed into 2-alkylidene-4-methoxytetrahydrofurans.

  18. Synthesis and performance of Li[(Ni1/3Co1/3Mn1/3)(1-x)Mgx]O2 prepared from spent lithium ion batteries.

    PubMed

    Weng, Yaqing; Xu, Shengming; Huang, Guoyong; Jiang, Changyin

    2013-02-15

    To reduce cost and secondary pollution of spent lithium ion battery (LIB) recycling caused by complicated separation and purification, a novel simplified recycling process is investigated in this paper. Removal of magnesium is a common issue in hydrometallurgy process. Considering magnesium as an important additive in LIB modification, tolerant level of magnesium in leachate is explored as well. Based on the novel recycling technology, Li[(Ni(1/3)Co(1/3)Mn(1/3))(1-x)Mg(x)]O(2) (0 ≤ x ≤ 0.05) cathode materials are achieved from spent LIB. Tests of XRD, SEM, TG-DTA and so on are carried out to evaluate material properties. Electrochemical test shows an initial charge and discharge capacity of the regenerated LiNi(1/3)Co(1/3)Mn(1/3)O(2) to be 175.4 mAh g(-1) and 152.7 mAh g(-1) (2.7-4.3 V, 0.2C), respectively. The capacity remains 94% of the original value after 50 cycles (2.7-4.3 V, 1C). Results indicate that presence of magnesium up to x=0.01 has no significant impact on overall performance of Li[(Ni(1/3)Co(1/3)Mn(1/3))(1-x)Mg(x)]O(2). As a result, magnesium level as high as 360 mg L(-1) in leachate remains tolerable. Compared with conventional limitation of magnesium content, the elimination level of magnesium exceeded general impurity-removal requirement. Copyright © 2012 Elsevier B.V. All rights reserved.

  19. Structural and Electrochemical Study of Hierarchical LiNi(1/3)Co(1/3)Mn(1/3)O2 Cathode Material for Lithium-Ion Batteries.

    PubMed

    Li, Li; Wang, Lecai; Zhang, Xiaoxiao; Xie, Man; Wu, Feng; Chen, Renjie

    2015-10-07

    In this study, a facile nanoetching-template route is developed to synthesize porous nanomicrohierarchical LiNi1/3Co1/3Mn1/3O2 microspheres with diameters below 1.5 μm, using porous CoMnO3 binary oxide microspheres as the template. The unique morphology of CoMnO3 template originates from the contraction effect during the oxidative decomposition of Ca0.2Mn0.4Co0.4CO3 precursors and is further improved by selectively removing calcium carbonate with a nanoetching process after calcination. The as-synthesized LiNi1/3Co1/3Mn1/3O2 microsphere, composed of numerous primary particles and pores with size of dozens of nanometers, illustrates a well-assembled porous nanomicrohierarchical structure. When used as the cathode material for lithium-ion batteries, the as-synthesized microspheres exhibit remarkably enhanced electrochemical performances with higher capacity, excellent cycling stability, and better rate capability, compared with the bulk counterpart. Specifically, hierarchical LiNi1/3Co1/3Mn1/3O2 achieves a high discharge capacity of 159.6 mA h g(-1) at 0.2 C with 98.7% capacity retention after 75 cycles and 133.2 mA h g(-1) at 1 C with 90% capacity retention after 100 cycles. A high discharge capacity of 135.5 mA h g(-1) even at a high current of 750 mA g(-1) (5 C) is also achieved. The nanoetching-template method can provide a general approach to improve cycling stability and rate capability of high capacity cathode materials for lithium-ion batteries.

  20. The feasibility of a regional CTDI{sub vol} to estimate organ dose from tube current modulated CT exams

    SciTech Connect

    Khatonabadi, Maryam; Kim, Hyun J.; Lu, Peiyun; McMillan, Kyle L.; Cagnon, Chris H.; McNitt-Gray, Michael F.; DeMarco, John J.

    2013-05-15

    Purpose: In AAPM Task Group 204, the size-specific dose estimate (SSDE) was developed by providing size adjustment factors which are applied to the Computed Tomography (CT) standardized dose metric, CTDI{sub vol}. However, that work focused on fixed tube current scans and did not specifically address tube current modulation (TCM) scans, which are currently the majority of clinical scans performed. The purpose of this study was to extend the SSDE concept to account for TCM by investigating the feasibility of using anatomic and organ specific regions of scanner output to improve accuracy of dose estimates. Methods: Thirty-nine adult abdomen/pelvis and 32 chest scans from clinically indicated CT exams acquired on a multidetector CT using TCM were obtained with Institutional Review Board approval for generating voxelized models. Along with image data, raw projection data were obtained to extract TCM functions for use in Monte Carlo simulations. Patient size was calculated using the effective diameter described in TG 204. In addition, the scanner-reported CTDI{sub vol} (CTDI{sub vol,global}) was obtained for each patient, which is based on the average tube current across the entire scan. For the abdomen/pelvis scans, liver, spleen, and kidneys were manually segmented from the patient datasets; for the chest scans, lungs and for female models only, glandular breast tissue were segmented. For each patient organ doses were estimated using Monte Carlo Methods. To investigate the utility of regional measures of scanner output, regional and organ anatomic boundaries were identified from image data and used to calculate regional and organ-specific average tube current values. From these regional and organ-specific averages, CTDI{sub vol} values, referred to as regional and organ-specific CTDI{sub vol}, were calculated for each patient. Using an approach similar to TG 204, all CTDI{sub vol} values were used to normalize simulated organ doses; and the ability of each normalized

  1. Persistent State-of-Charge Heterogeneity in Relaxed, Partially Charged Li1- x Ni1/3 Co1/3 Mn1/3 O2 Secondary Particles.

    PubMed

    Gent, William E; Li, Yiyang; Ahn, Sungjin; Lim, Jongwoo; Liu, Yijin; Wise, Anna M; Gopal, Chirranjeevi Balaji; Mueller, David N; Davis, Ryan; Weker, Johanna Nelson; Park, Jin-Hwan; Doo, Seok-Kwang; Chueh, William C

    2016-08-01

    Ex situ transmission X-ray microscopy reveals micrometer-scale state-of-charge heterogeneity in solid-solution Li1- x Ni1/3 Co1/3 Mn1/3 O2 secondary particles even after extensive relaxation. The heterogeneity generates overcharged domains at the cutoff voltage, which may accelerate capacity fading and increase impedance with extended cycling. It is proposed that optimized secondary structures can minimize the state-of-charge heterogeneity by mitigating the buildup of nonuniform internal stresses associated with volume changes during charge. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Long-Term Selenium-Deficient Diet Induces Liver Damage by Altering Hepatocyte Ultrastructure and MMP1/3 and TIMP1/3 Expression in Growing Rats.

    PubMed

    Han, Jing; Liang, Hua; Yi, Jianhua; Tan, Wuhong; He, Shulan; Wang, Sen; Li, Feng; Wu, Xiaofang; Ma, Jing; Shi, Xiaowei; Guo, Xiong; Bai, Chuanyi

    2017-02-01

    The effects of selenium (Se)-deficient diet on the liver were evaluated by using growing rats which were fed with normal and Se-deficient diets, respectively, for 109 days. The results showed that rats fed with Se-deficient diet led to a decrease in Se concentration in the liver, particularly among male rats from the low-Se group. This causes alterations to the ultrastructure of hepatocytes with condensed chromatin and swelling mitochondria observed after low Se intake. Meanwhile, pathological changes and increased fibrosis in hepatic periportal were detected by hematoxylin and eosin and Masson's trichrome staining in low-Se group. Furthermore, through immunohistochemistry (IHC) staining, higher expressions of metalloproteinases (MMP1/3) and their tissue inhibitors of metalloproteinases (TIMP1/3) were observed in the hepatic periportal of rats from the low-Se group. However, higher expressions of MMP1/3 and lower expressions of TIMP1/3 were detected in hepatic central vein and hepatic sinusoid. In addition, upregulated expressions of MMP1/3 and downregulated expressions of TIMP1/3 at the messenger RNA (mRNA) and protein levels also appeared to be relevant to low Se intake. In conclusion, Se-deficient diet could cause low Se concentration in the liver, alterations of hepatocyte ultrastructure, differential expressions of MMP1/3 and TIMP1/3 as well as fibrosis in the liver hepatic periportal.

  3. GENE EXPRESSION CHANGES IN ARABIDOPSIS THALIANA SEEDLING ROOTS EXPOSED TO THE MUNITION HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE

    EPA Science Inventory

    Arabidopsis thaliana root transcriptome responses to the munition, hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), were assessed using serial analysis of gene expression (SAGE). Comparison of the transcriptional profile for the RDX response to a profile previously described for Ar...

  4. Trinuclear rare earth metal complexes based on 1,3,5-triamino-1,3,5-trideoxy-cis inositol as catalysts for the hydrolysis of phosphodiesters.

    PubMed

    Ramadan, Ahmed M; Calatayud Sala, José Miguel; Parac-Vogt, Tatjana N

    2011-02-14

    Trinuclear rare-earth metal complexes [M₃(taciH₋₃)₂](3+) (M = La(3+), Y(3+)), based on a rigid polyamino-polyalcohol ligand 1,3,5-triamino-1,3,5-trideoxy-cis-inositol (taci), are proven to be efficient catalysts for the hydrolysis of 2-hydroxypropyl-4-nitrophenyl phophate (HPNP), a commonly used RNA model system.

  5. 40 CFR 721.10296 - 1,3-Benzenediol, 4-[1-[[3-(lH-imidazol-1-yl)propyl]imino] ethyl]-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false 1,3-Benzenediol, 4- imino] ethyl]-. 721.10296 Section 721.10296 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10296 1,3-Benzenedio...

  6. 40 CFR 721.10296 - 1,3-Benzenediol, 4-[1-[[3-(lH-imidazol-1-yl)propyl]imino] ethyl]-.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false 1,3-Benzenediol, 4- imino] ethyl]-. 721.10296 Section 721.10296 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10296 1,3-Benzenedio...

  7. 40 CFR 721.10296 - 1,3-Benzenediol, 4-[1-[[3-(lH-imidazol-1-yl)propyl]imino] ethyl]-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false 1,3-Benzenediol, 4- imino] ethyl]-. 721.10296 Section 721.10296 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.10296 1,3-Benzenedio...

  8. GENE EXPRESSION CHANGES IN ARABIDOPSIS THALIANA SEEDLING ROOTS EXPOSED TO THE MUNITION HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE

    EPA Science Inventory

    Arabidopsis thaliana root transcriptome responses to the munition, hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), were assessed using serial analysis of gene expression (SAGE). Comparison of the transcriptional profile for the RDX response to a profile previously described for Ar...

  9. Greener and rapid access to bio-active heterocycles: one-pot solvent-free synthesis of 1,3,4-oxadiazoles and 1,3,4-thiadiazoles

    EPA Science Inventory

    A novel one-pot solvent free synthesis of 1,3,4-oxadiazoles and 1,3,4-thiadiazoles by condensation of acid hydrazide and triethyl orthoalkanates under microwave irradiations is reported. This green protocol was catalyzed efficiently by solid supported Nafion®NR50 and phosphorus p...

  10. Greener and rapid access to bio-active heterocycles: one-pot solvent-free synthesis of 1,3,4-oxadiazoles and 1,3,4-thiadiazoles

    EPA Science Inventory

    A novel one-pot solvent free synthesis of 1,3,4-oxadiazoles and 1,3,4-thiadiazoles by condensation of acid hydrazide and triethyl orthoalkanates under microwave irradiations is reported. This green protocol was catalyzed efficiently by solid supported Nafion®NR50 and phosphorus p...

  11. Isoxazolium N-ylides and 1-oxa-5-azahexa-1,3,5-trienes on the way from isoxazoles to 2H-1,3-oxazines

    PubMed Central

    Novikov, Mikhail S; Gorbunova, Yelizaveta G; Galenko, Ekaterina E; Mikhailov, Kirill I; Pakalnis, Viktoriia V; Avdontceva, Margarita S

    2014-01-01

    Summary Theoretical and experimental studies of the reaction of isoxazoles with diazo compounds show that the formation of 2H-1,3-oxazines proceeds via the formation of (3Z)-1-oxa-5-azahexa-1,3,5-trienes which undergo a 6π-cyclization. The stationary points corresponding to the probable reaction intermediates, isoxazolium N-ylides, were located by DFT calculations at the B3LYP/6-31G(d) level only for derivatives without a substituent in position 3 of the isoxazole ring. These isoxazolium N-ylides are thermodynamically and kinetically very unstable. According to the calculations and experimental results 2H-1,3-oxazines are usually more thermodynamically stable than the corresponding open-chain isomers, (3Z)-1-oxa-5-azahexa-1,3,5-trienes. The exception are oxaazahexatrienes derived from 5-alkoxyisoxazoles, which are thermodynamically more stable than the corresponding 2H-1,3-oxazines. Therefore, the reaction of diazo esters with 5-alkoxyisoxazoles is a good approach to 1,4-di(alkoxycarbonyl)-2-azabuta-1,3-dienes. The reaction conditions for the preparation of aryl- and halogen-substituted 2H-1,3-oxazines and 1,4-di(alkoxycarbonyl)-2-azabuta-1,3-dienes from isoxazoles were investigated. PMID:25246948

  12. Methylene acetal formation from 1,2- and 1,3-diols using an O,S-acetal, 1,3-dibromo-5,5-dimethylhydantoin, and BHT.

    PubMed

    Maegawa, Tomohiro; Koutani, Yasuyuki; Otake, Kazuki; Fujioka, Hiromichi

    2013-04-05

    A mild and efficient method for formation of methylene acetals from 1,2- and 1,3-diols using methoxymethylphenylsulfide, 1,3-dibromo-5,5-dimethylhydantoin (DBDMH), and dibutylhydroxytoluene (BHT) is described. The use of BHT in this process suppresses side reactions and enables high-yielding formation of methylene acetals of various diols, including carbohydrate-type substrates.

  13. 1-(Triethoxysilyl)buta-1,3-dienes—New Building Blocks for Stereoselective Synthesis of Unsymmetrical (E,E)-1,4-Disubstituted 1,3-dienes

    PubMed Central

    Szudkowska-Frątczak, Justyna; Taczała, Mariusz; Pawluć, Piotr

    2015-01-01

    A convenient methodology for the highly stereoselective synthesis of unsymmetrical (1E,3E)-1,4-disubstituted 1,3-dienes based on palladium-catalyzed Hiyama cross-coupling reaction of 1-(triethoxysilyl)-substituted buta-1,3-dienes with aryl iodides is reported. PMID:28793635

  14. Palladium-catalyzed stereoselective intramolecular oxidative amidation of alkenes in the synthesis of 1,3- and 1,4-amino alcohols and 1,3-diamines.

    PubMed

    Malkov, Andrei V; Lee, Darren S; Barłóg, Maciej; Elsegood, Mark R J; Kočovský, Pavel

    2014-04-22

    An efficient and practical Pd-catalyzed intramolecular oxidative allylic amidation provides facile access to derivatives of 1,3- and 1,4-amino alcohols and 1,3-diamines. The method operates under mild reaction conditions (RT) with molecular oxygen (1 atm) as the sole reoxidant of Pd. Excellent diastereoselectivities were attained with substrates bearing a secondary stereogenic center.

  15. The Model Intercomparison Project on the climatic response to volcanic forcing (VolMIP)

    NASA Astrophysics Data System (ADS)

    Zanchettin, Davide; Timmreck, Claudia; Khodri, Myriam

    2016-04-01

    Our understanding of the climatic response to volcanic forcing is limited as large uncertainties affect both the observational records, due to the limited number of observed events, and the non-robust dynamical responses simulated by different climate models. The lack of agreement between model results is crucially determined by differences in the model's characteristics such as resolution, complexity and implementation strategy of the forcing, and uncertainty in the eruption details including magnitude, latitude and season, input data and background climate. The multiple and varied nature of these factors prevents their contribution to uncertainty from being distinguished within existing transient simulations or non-coordinated multi-model experiments. It is therefore necessary to frame the future modeling activities within common designs that separately focus on specific aspects i.e. uncertainties in the reconstruction of radiative volcanic or associated feedback mechanisms activated in the coupled ocean-atmosphere system for one specific volcanic forcing. The Model Intercomparison Project on the climatic response to Volcanic forcing (VolMIP) presented here focuses on the response of the coupled ocean-atmosphere system to strong volcanic forcing. VolMIP is a CMIP6 endorsed project, which defines a common protocol to subject Earth system models and coupled general circulation models to the same volcanic forcing and under a similar range of background climate conditions. By doing so, VolMIP aims at assessing to what extent simulated responses are robust across models and at identifying the causes that limit robust behavior, especially as far as different treatment of physical processes is concerned. We will present an overview about VoLMIP and its recent activities. It will also be illustrated how VoLMIP is linked to CMIP6 and to other coordinated modeling assessments and how it will improve our understanding of past, current and future climates.

  16. Low-temperature structural and dielectric phenomena in La1/3NbO3 and La1/3TaO3: Comparative study

    NASA Astrophysics Data System (ADS)

    Salak, Andrei N.; Vyshatko, Nikolai P.; Khalyavin, Dmitry D.; Prokhnenko, Oleksandr; Ferreira, Victor M.

    2008-10-01

    The crystal structures of the perovskites La1/3NbO3 and La1/3TaO3 were studied between 10 and 350 K using high-resolution neutron powder diffraction and compared with their radio-frequency dielectric response over the same temperature range. The structure of La1/3NbO3 remains orthorhombic Cmmm, while La1/3TaO3 undergoes continuous transition from the high-temperature tetragonal P4/mmm to Cmmm phase at about 220 K. This transition is tricritical in nature and accompanied by no dielectric anomaly. In La1/3NbO3, the frequency-dependent peak of the dielectric permittivity is associated with an atypical increase in the lattice parameters below about 80 K.

  17. The action modes of an extracellular beta-1,3-glucanase isolated from Bacillus clausii NM-1 on beta-1,3-glucooligosaccharides.

    PubMed

    Miyanishi, Nobumitsu; Matsubara, Yasuhito; Hamada, Naoko; Kobayashi, Takeshi; Imada, Chiaki; Watanabe, Etsuo

    2003-01-01

    The mode of action of an extracellular -1,3-glucanase from Bacillus clausii NM-1 on beta-1,3-3glucooligosaccharides and their alditols was studied. The enzyme could not hydrolyze laminaribiose or laminaritriose. beta-1,3-Glucooligosaccharides higher than laminarihexaose were rapidly hydrolyzed, while laminaritetraose was slowly hydrolyzed. The k(cat)/K(m) ratios for a series of beta-1,3-glucooligosaccharides from laminaritetraose to laminariheptaose showed that the substrate binding site of the enzyme covered a wide range of beta-1,3-glucooligosaccharides having six glucose residues. The action pattern of the enzyme on the alditols corresponding to each laminarioligosaccharide suggested that the catalytic site of the enzyme existed between the third and fourth glucose residue from the non-reducing terminal. The value of k(cat)/K(m) also suggested that the sixth binding position contributed to the catalytic efficiency and stability.

  18. International Congress on Recent Developments in Air- and Structure-Borne Sound and Vibration, 2nd, Auburn Univ., AL, Mar. 4-6, 1992, Proceedings. Vols. 1-3

    NASA Technical Reports Server (NTRS)

    Crocker, Malcolm J. (Editor); Raju, P. K. (Editor)

    1992-01-01

    The papers presented in this volume cover a variety of topics, including sound intensity, structural intensity, modal analysis and synthesis, statistical energy analysis and energy methods, passive and active damping, and boundary element methods. Attention is also given to diagnostics and condition monitoring, material characterization and nondestructive evaluation, active noise and vibration control, sound radiation and scattering, and finite element analysis.

  19. QSAR study and VolSurf characterization of anti-HIV quinolone library

    NASA Astrophysics Data System (ADS)

    Filipponi, Enrica; Cruciani, Gabriele; Tabarrini, Oriana; Cecchetti, Violetta; Fravolini, Arnaldo

    2001-03-01

    Antiviral quinolones are promising compounds in the search for new therapeutically effective agents for the treatment of AIDS. To rationalize the SAR for this new interesting class of anti-HIV derivatives, we performed a 3D-QSAR study on a library of 101 6-fluoro and 6-desfluoroquinolones, taken either from the literature or synthesized by us. The chemometric procedure involved a fully semiempirical minimization of the molecular structures by the AMSOL program, which takes into account the solvatation effect, and their 3D characterization by the VolSurf/GRID program. The QSAR analysis, based on PCA and PLS methods, shows the key structural features responsible for the antiviral activity.

  20. Physics of laser fusion. Vol. I. Theory of the coronal plasma in laser-fusion targets

    SciTech Connect

    Max, C.E.

    1981-12-01

    This monograph deals with the physics of the coronal region in laser fusion targets. The corona consists of hot plasma which has been evaporated from the initially solid target during laser heating. It is in the corona that the laser light is absorbed by the target, and the resulting thermal energy is conducted toward cold high-density regions, where ablation occurs. The topics to be discussed are theoretical mechanisms for laser light absorption and reflection, hot-electron production, and the physics of heat conduction in laser-produced plasmas. An accompanying monograph by H. Ahlstrom (Vol.II) reviews the facilities, diagnostics, and data from recent laser fusion experiments.

  1. Structure and Electrochemistry of LiNi1/3Co1/3-yMyMn1/3O2 (M=Ti, Al, Fe) Positive Electrode Materials

    SciTech Connect

    Wilcox, James; Patoux, Sebastien; Doeff, Marca

    2009-01-14

    A series of materials based on the LiNi1/3Co1/3-yMyMn1/3O2 (M = Ti,Al,Fe) system has been synthesized and examined structurally and electrochemically. It is found that the changes in electrochemical performance depend highly on the nature of the substituting atom and its effect on the crystal structure. Substitution with small amounts of Ti4+ (y = 1/12) leads to the formation of a high-capacity and high-rate positive electrode material. Iron substituted materials suffer from an increased antisite defect concentration and exhibit lower capacities and poor rate capabilities. Single-phase materials are found for LiNi1/3Co1/3-yAlyMn1/3O2 when y<_ 1/4 and all exhibit decreased capacities when cycled to 4.3 V. However, an increase in rate performance and cycle stability upon aluminum substitution is correlated with an improved lamellar structure.

  2. Microstructural investigation of LixNi1/3Mn1/3Co1/3O2 (x 1) and its aged products via magnetic and diffraction study

    SciTech Connect

    Mohanty, Debasish; Gabrisch, Heike

    2012-01-01

    The thermal stability of the layered oxide LiNi1/3Mn1/3Co1/3O2 and its delithiated product is studied by a combination of x-ray and electron diffraction, TEM imaging and magnetic measurements. Diffraction shows that a small fraction of the layered material converts to spinel phase following delithiation. More spinel phase is observed after thermal annealing. The morphology of the particle changes upon thermal annealing of delithiated materials. The selected area electron diffraction and the magnetic measurement results confirm the presence of Ni+2/Li+ disorder in the delithiated material, which increases upon thermal ageing. The oxidation states of the transition metal ions were determined from magnetic data. It is shown that the charge balance due TO removal of Li+ is maintained through oxidation of Ni+2 and that the oxidation states remain stable during subsequent annealing. No anti-ferromagnetic ordering or crystallographic in plane ordering of transition metal ions is observed. These results clearly describe the thermal degradation of LixNi1/3Mn1/3Co1/3O2 (x 1) occur through the significant microstructural changes.

  3. Dose equations for tube current modulation in CT scanning and the interpretation of the associated CTDI{sub vol}

    SciTech Connect

    Dixon, Robert L.; Boone, John M.

    2013-11-15

    Purpose: The scanner-reported CTDI{sub vol} for automatic tube current modulation (TCM) has a different physical meaning from the traditional CTDI{sub vol} at constant mA, resulting in the dichotomy “CTDI{sub vol} of the first and second kinds” for which a physical interpretation is sought in hopes of establishing some commonality between the two.Methods: Rigorous equations are derived to describe the accumulated dose distributions for TCM. A comparison with formulae for scanner-reported CTDI{sub vol} clearly identifies the source of their differences. Graphical dose simulations are also provided for a variety of TCM tube current distributions (including constant mA), all having the same scanner-reported CTDI{sub vol}.Results: These convolution equations and simulations show that the local dose at z depends only weakly on the local tube current i(z) due to the strong influence of scatter from all other locations along z, and that the “local CTDI{sub vol}(z)” does not represent a local dose but rather only a relative i(z) ≡ mA(z). TCM is a shift-variant technique to which the CTDI-paradigm does not apply and its application to TCM leads to a CTDI{sub vol} of the second kind which lacks relevance.Conclusions: While the traditional CTDI{sub vol} at constant mA conveys useful information (the peak dose at the center of the scan length), CTDI{sub vol} of the second kind conveys no useful information about the associated TCM dose distribution it purportedly represents and its physical interpretation remains elusive. On the other hand, the total energy absorbed E (“integral dose”) as well as its surrogate DLP remain robust between variable i(z) TCM and constant current i{sub 0} techniques, both depending only on the total mAs =t{sub 0}=i{sub 0} t{sub 0} during the beam-on time t{sub 0}.

  4. Regioselective synthesis of 2-amino-substituted 1,3,4-oxadiazole and 1,3,4-thiadiazole derivatives via reagent-based cyclization of thiosemicarbazide intermediate.

    PubMed

    Yang, Seung-Ju; Lee, Seok-Hyeong; Kwak, Hyun-Jung; Gong, Young-Dae

    2013-01-18

    A regioselective, reagent-based method for the cyclization reaction of 2-amino-1,3,4-oxadiazole and 2-amino-1,3,4-thiadiazole core skeletons is described. The thiosemicarbazide intermediate 3 was reacted with EDC·HCl in DMSO or p-TsCl, triethylamine in N-methyl-2-pyrrolidone to give the corresponding 2-amino-1,3,4-oxadiazoles 4 and 2-amino-1,3,4-thiadiazoles 5 through regioselcective cyclization processes. The regioselectivity was affected by both R(1) and R(2) in p-TsCl mediated cyclization. It is shown in select sets of thiosemicarbazide 3 with R(1)(benzyl) and R(2)(phenyl). 2-Amino-1,3,4-oxadiazole 4 was also shown in the reaction of p-TsCl mediated cyclization. The resulting 2-amino-1,3,4-oxadiazole and 2-amino-1,3,4-thiadiazole core skeleton are functionalized with various electrophiles such as alkyl halide, acid halides, and sulfornyl chloride in high yields.

  5. Improved 1,3-propanediol production with hemicellulosic hydrolysates (corn straw) as cosubstrate: Impact of degradation products on Klebsiella pneumoniae growth and 1,3-propanediol fermentation.

    PubMed

    Jin, Pin; Li, Shuang; Lu, Sheng-guo; Zhu, Jian-guo; Huang, He

    2011-01-01

    To improve 1,3-propanediol (1,3-PD) production by an economic and efficient approach, hemicellulosic hydrolysates (HH) used as cosubstrate resulted in more biomass and higher reducing power for 1,3-PD production. The effects of primary degradation products such as individual sugars (xylose, glucose, mannose, arabinose and galactose) and major inhibitors (furfural, acetate and formate) on the Klebsiella pneumoiae growth and 1,3-PD production were investigated in this study. Xylose and mannose could efficiently promote the 1,3-PD production and cell growth. Furfural (0.28 g/l) and sodium acetate (1.46 g/l) in low concentration were not inhibitory to Klebsiella pneumoniae, rather they have stimulatory effect on the growth and 1,3-PD biosynthesis, especially the acetate. In fed-batch fermentation with HH as cosubstrate, the final 1,3-PD production, conversion from glycerol and productivity were 71.58 g/l, 0.65 mol/mol and 1.93 g/l/h, respectively, which were 17.8%, 25.0% and 17.7% higher than that from glycerol alone.

  6. 1,1',4,5-tetrahydrotrispiro[1,3,2-diazaphosphole-2,2'-[1,3,5,2,4,6]triazatriphosphinine-4',6''-dibenzo[d,f][1,3,2]dioxaphosphepine-6',6'''-dibenzo[d,f][1,3,2]dioxaphosphepine

    USDA-ARS?s Scientific Manuscript database

    The title compound 1,1',4,5-tetrahydrotrispiro[1,3,2-diazaphosphole-2,2'-[1,3,5,2,4,6]triazatriphosphinine-4',6''-dibenzo[d,f][1,3,2]dioxaphosphepine-6',6'''-dibenzo[d,f][1,3,2]dioxaphosphepine], C26H22N5O4P3, at 100°K has monoclinic (P21/c) symmetry and is achieved in a two step synthesis that does...

  7. Effects of biochar on the emissions, soil distribution, and nematode control of 1,3-dichloropropene

    USDA-ARS?s Scientific Manuscript database

    Application of a rice husk-derived biochar to the surface of a sandy loam soil chamber reduced soil-air emissions of 1,3-dichloropropene (1,3-D) from 42% in a control (no biochar) to 8%. The difference in emissions was due to adsorption of 1,3-D onto the biochar, measured as 32.5%. The remaining 1,3...

  8. 40 CFR 80.55 - Measurement methods for benzene and 1,3-butadiene.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 16 2010-07-01 2010-07-01 false Measurement methods for benzene and 1... Measurement methods for benzene and 1,3-butadiene. (a) Sampling for benzene and 1,3-butadiene must be... 86.109. (b) Benzene and 1,3-butadiene must be analyzed by gas chromatography. Expected values...

  9. 40 CFR 80.55 - Measurement methods for benzene and 1,3-butadiene.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 17 2012-07-01 2012-07-01 false Measurement methods for benzene and 1... Measurement methods for benzene and 1,3-butadiene. (a) Sampling for benzene and 1,3-butadiene must be... 86.109. (b) Benzene and 1,3-butadiene must be analyzed by gas chromatography. Expected values...

  10. 40 CFR 80.55 - Measurement methods for benzene and 1,3-butadiene.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 17 2013-07-01 2013-07-01 false Measurement methods for benzene and 1... Measurement methods for benzene and 1,3-butadiene. (a) Sampling for benzene and 1,3-butadiene must be... 86.109. (b) Benzene and 1,3-butadiene must be analyzed by gas chromatography. Expected values...

  11. 40 CFR 80.55 - Measurement methods for benzene and 1,3-butadiene.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 17 2014-07-01 2014-07-01 false Measurement methods for benzene and 1... Measurement methods for benzene and 1,3-butadiene. (a) Sampling for benzene and 1,3-butadiene must be... 86.109. (b) Benzene and 1,3-butadiene must be analyzed by gas chromatography. Expected values...

  12. 40 CFR 80.55 - Measurement methods for benzene and 1,3-butadiene.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 16 2011-07-01 2011-07-01 false Measurement methods for benzene and 1... Measurement methods for benzene and 1,3-butadiene. (a) Sampling for benzene and 1,3-butadiene must be... 86.109. (b) Benzene and 1,3-butadiene must be analyzed by gas chromatography. Expected values...

  13. 48 CFR 970.1504-1-3 - Special considerations: Laboratory management and operation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ...: Laboratory management and operation. 970.1504-1-3 Section 970.1504-1-3 Federal Acquisition Regulations System DEPARTMENT OF ENERGY AGENCY SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Contracting by Negotiation 970.1504-1-3 Special considerations: Laboratory management and operation. (a) For the management...

  14. 48 CFR 970.1504-1-3 - Special considerations: Laboratory management and operation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ...: Laboratory management and operation. 970.1504-1-3 Section 970.1504-1-3 Federal Acquisition Regulations System DEPARTMENT OF ENERGY AGENCY SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Contracting by Negotiation 970.1504-1-3 Special considerations: Laboratory management and operation. (a) For the management...

  15. 8 CFR 1.3 - Lawfully present aliens for purposes of applying for Social Security benefits.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... applying for Social Security benefits. 1.3 Section 1.3 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY GENERAL PROVISIONS DEFINITIONS § 1.3 Lawfully present aliens for purposes of applying for Social... one of the following classes of aliens permitted to remain in the United States because DHS has...

  16. 8 CFR 1.3 - Lawfully present aliens for purposes of applying for Social Security benefits.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... applying for Social Security benefits. 1.3 Section 1.3 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY GENERAL PROVISIONS DEFINITIONS § 1.3 Lawfully present aliens for purposes of applying for Social... one of the following classes of aliens permitted to remain in the United States because DHS has...

  17. 8 CFR 1.3 - Lawfully present aliens for purposes of applying for Social Security benefits.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... applying for Social Security benefits. 1.3 Section 1.3 Aliens and Nationality DEPARTMENT OF HOMELAND SECURITY GENERAL PROVISIONS DEFINITIONS § 1.3 Lawfully present aliens for purposes of applying for Social... one of the following classes of aliens permitted to remain in the United States because DHS has...

  18. 41 CFR 301-1.3 - Who is eligible for TDY allowances?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 4 2010-07-01 2010-07-01 false Who is eligible for TDY allowances? 301-1.3 Section 301-1.3 Public Contracts and Property Management Federal Travel Regulation System TEMPORARY DUTY (TDY) TRAVEL ALLOWANCES INTRODUCTION 1-APPLICABILITY § 301-1.3 Who is eligible for TDY...

  19. 26 CFR 1.1-3 - Change in rates applicable to taxable year.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 26 Internal Revenue 1 2011-04-01 2009-04-01 true Change in rates applicable to taxable year. 1.1-3 Section 1.1-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY INCOME TAX INCOME TAXES Normal Taxes and Surtaxes § 1.1-3 Change in rates applicable to taxable year. For computation of...

  20. 26 CFR 1.1-3 - Change in rates applicable to taxable year.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 1 2010-04-01 2010-04-01 true Change in rates applicable to taxable year. 1.1-3 Section 1.1-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY INCOME TAX INCOME TAXES Normal Taxes and Surtaxes § 1.1-3 Change in rates applicable to taxable year. For computation of...

  1. 43 CFR 3864.1-3 - Millsites for quartz mills or reduction works.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false Millsites for quartz mills or reduction works. 3864.1-3 Section 3864.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) MINERAL PATENT APPLICATIONS Millsite Patents § 3864.1-3 Millsites...

  2. 30 CFR 1.3 - Use of letters and acronym MSHA.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Use of letters and acronym MSHA. 1.3 Section 1.3 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR OFFICIAL EMBLEM AND...; ESTABLISHMENT AND USE OF OFFICIAL EMBLEM § 1.3 Use of letters and acronym MSHA. The letters and acronym MSHA may...

  3. 30 CFR 1.3 - Use of letters and acronym MSHA.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 30 Mineral Resources 1 2013-07-01 2013-07-01 false Use of letters and acronym MSHA. 1.3 Section 1.3 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR OFFICIAL EMBLEM AND...; ESTABLISHMENT AND USE OF OFFICIAL EMBLEM § 1.3 Use of letters and acronym MSHA. The letters and acronym MSHA...

  4. 30 CFR 1.3 - Use of letters and acronym MSHA.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 30 Mineral Resources 1 2012-07-01 2012-07-01 false Use of letters and acronym MSHA. 1.3 Section 1.3 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR OFFICIAL EMBLEM AND...; ESTABLISHMENT AND USE OF OFFICIAL EMBLEM § 1.3 Use of letters and acronym MSHA. The letters and acronym MSHA...

  5. 30 CFR 1.3 - Use of letters and acronym MSHA.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 30 Mineral Resources 1 2014-07-01 2014-07-01 false Use of letters and acronym MSHA. 1.3 Section 1.3 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR OFFICIAL EMBLEM AND...; ESTABLISHMENT AND USE OF OFFICIAL EMBLEM § 1.3 Use of letters and acronym MSHA. The letters and acronym MSHA...

  6. 30 CFR 1.3 - Use of letters and acronym MSHA.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 30 Mineral Resources 1 2011-07-01 2011-07-01 false Use of letters and acronym MSHA. 1.3 Section 1.3 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR OFFICIAL EMBLEM AND...; ESTABLISHMENT AND USE OF OFFICIAL EMBLEM § 1.3 Use of letters and acronym MSHA. The letters and acronym MSHA...

  7. 26 CFR 36.3121(l)(1)-3 - Effect of agreement.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 26 Internal Revenue 15 2010-04-01 2010-04-01 false Effect of agreement. 36.3121(l)(1)-3 Section 36.3121(l)(1)-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED... SUBSIDIARIES § 36.3121(l)(1)-3 Effect of agreement. (a) Liability for amounts equivalent to tax—(1) In...

  8. 22 CFR 1.3 - Office of the Under Secretaries of State.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 22 Foreign Relations 1 2012-04-01 2012-04-01 false Office of the Under Secretaries of State. 1.3 Section 1.3 Foreign Relations DEPARTMENT OF STATE GENERAL INSIGNIA OF RANK § 1.3 Office of the Under Secretaries of State. The official flag indicative of the office of the Under Secretaries of State shall be as...

  9. Health Assessment Document for 1,3-Butadiene (External Review Draft)

    EPA Science Inventory

    This risk assessment of 1,3-butadiene, a gas used commercially in the production of various resins and plastics, concludes that 1,3-butadiene is a known human carcinogen, based on three types of evidence: 1) excess leukemias in workers occupationally exposed to 1,3-butadiene (by ...

  10. 40 CFR 721.10162 - 1,3 Dioxolane-4-butanol, 2-ethenyl-.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false 1,3 Dioxolane-4-butanol, 2-ethenyl... Specific Chemical Substances § 721.10162 1,3 Dioxolane-4-butanol, 2-ethenyl-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,3 dioxolane-4-butanol,...

  11. 40 CFR 721.10162 - 1,3 Dioxolane-4-butanol, 2-ethenyl-.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false 1,3 Dioxolane-4-butanol, 2-ethenyl... Specific Chemical Substances § 721.10162 1,3 Dioxolane-4-butanol, 2-ethenyl-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,3 dioxolane-4-butanol,...

  12. 40 CFR 721.10162 - 1,3 Dioxolane-4-butanol, 2-ethenyl-.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false 1,3 Dioxolane-4-butanol, 2-ethenyl... Specific Chemical Substances § 721.10162 1,3 Dioxolane-4-butanol, 2-ethenyl-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,3 dioxolane-4-butanol,...

  13. 40 CFR 721.10162 - 1,3 Dioxolane-4-butanol, 2-ethenyl-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false 1,3 Dioxolane-4-butanol, 2-ethenyl... Specific Chemical Substances § 721.10162 1,3 Dioxolane-4-butanol, 2-ethenyl-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,3 dioxolane-4-butanol,...

  14. 40 CFR 721.10162 - 1,3 Dioxolane-4-butanol, 2-ethenyl-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false 1,3 Dioxolane-4-butanol, 2-ethenyl... Specific Chemical Substances § 721.10162 1,3 Dioxolane-4-butanol, 2-ethenyl-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 1,3 dioxolane-4-butanol,...

  15. 21 CFR 177.1345 - Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 3 2011-04-01 2011-04-01 false Ethylene/1,3-phenylene oxyethylene isophthalate... Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer. Ethylene/1, 3-phenylene... polymers complying with § 177.1630. (a) Identity. For the purpose of this section,...

  16. 21 CFR 177.1345 - Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 3 2014-04-01 2014-04-01 false Ethylene/1,3-phenylene oxyethylene isophthalate... Components of Single and Repeated Use Food Contact Surfaces § 177.1345 Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer. Ethylene/1,3-phenylene oxyethylene isophthalate/terephthalate...

  17. 21 CFR 177.1345 - Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 3 2013-04-01 2013-04-01 false Ethylene/1,3-phenylene oxyethylene isophthalate... Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer. Ethylene/1, 3-phenylene... polymers complying with § 177.1630. (a) Identity. For the purpose of this section,...

  18. Health Assessment Document for 1,3-Butadiene (External Review Draft)

    EPA Science Inventory

    This risk assessment of 1,3-butadiene, a gas used commercially in the production of various resins and plastics, concludes that 1,3-butadiene is a known human carcinogen, based on three types of evidence: 1) excess leukemias in workers occupationally exposed to 1,3-butadiene (by ...

  19. 26 CFR 36.3121(l)(1)-3 - Effect of agreement.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 26 Internal Revenue 15 2012-04-01 2012-04-01 false Effect of agreement. 36.3121(l)(1)-3 Section 36.3121(l)(1)-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED... SUBSIDIARIES § 36.3121(l)(1)-3 Effect of agreement. (a) Liability for amounts equivalent to tax—(1) In general...

  20. 26 CFR 36.3121(l)(1)-3 - Effect of agreement.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 26 Internal Revenue 15 2011-04-01 2011-04-01 false Effect of agreement. 36.3121(l)(1)-3 Section 36.3121(l)(1)-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED... SUBSIDIARIES § 36.3121(l)(1)-3 Effect of agreement. (a) Liability for amounts equivalent to tax—(1) In general...

  1. 26 CFR 36.3121(l)(1)-3 - Effect of agreement.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 26 Internal Revenue 15 2013-04-01 2013-04-01 false Effect of agreement. 36.3121(l)(1)-3 Section 36.3121(l)(1)-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED... SUBSIDIARIES § 36.3121(l)(1)-3 Effect of agreement. (a) Liability for amounts equivalent to tax—(1) In general...

  2. 26 CFR 36.3121(l)(1)-3 - Effect of agreement.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 26 Internal Revenue 15 2014-04-01 2014-04-01 false Effect of agreement. 36.3121(l)(1)-3 Section 36.3121(l)(1)-3 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED... SUBSIDIARIES § 36.3121(l)(1)-3 Effect of agreement. (a) Liability for amounts equivalent to tax—(1) In general...

  3. 40 CFR 721.10280 - Benzene ethenyl-, polymer with 1,3-butadiene, brominated.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Benzene ethenyl-, polymer with 1,3... Specific Chemical Substances § 721.10280 Benzene ethenyl-, polymer with 1,3-butadiene, brominated. (a... benzene ethenyl-, polymer with 1,3-butadiene, brominated (PMN P-10-476; CAS No. 1195978-93-8)) is subject...

  4. 40 CFR 721.10280 - Benzene ethenyl-, polymer with 1,3-butadiene, brominated.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Benzene ethenyl-, polymer with 1,3... Specific Chemical Substances § 721.10280 Benzene ethenyl-, polymer with 1,3-butadiene, brominated. (a... benzene ethenyl-, polymer with 1,3-butadiene, brominated (PMN P-10-476; CAS No. 1195978-93-8)) is subject...

  5. Crystallization and phase behavior of fatty acid esters of 1,3 propanediol III: 1,3 propanediol dicaprylate/1,3 propanediol distearate (CC/SS) and 1,3 propanediol dicaprylate/1,3 propanediol dipalmitate (CC/PP) binary systems.

    PubMed

    Abes, Madjid; Bouzidi, Laziz; Narine, Suresh S

    2008-02-01

    The phase behavior of the 1,3 propanediol dicaprylate/1,3 propanediol distearate (CC/SS) and the 1,3 propanediol dicaprylate/1,3 propanediol dipalmitate (CC/PP) binary systems were investigated using different techniques. The two systems presented essentially the same overall features. XRD measurements detected CC-CC, PP-PP and SS-SS bilayers which crystallized in beta forms but no mixed bilayers for all mixtures. The phase diagrams of both systems were comparable and displayed a monotectic behavior. As strongly evidenced by XRD data, both phase diagrams suggested that CC, PP and SS formed largely separate phases but were probably not completely immiscible. Avrami analysis of SFC vs. time indicated heterogeneous nucleation and spherulitic crystal development from sporadic nuclei. However, noticeable differences in the manifestation of the molecular interactions have been detected at all levels of structure and confirmed by the interchange coupling determined by the enthalpy of melt, the final SFC and the hardness data. This was obviously related to the difference in chain size between SS and PP molecules. The effect on texture was highlighted by drastic microstructural differences between the two systems. Furthermore, the differences in nucleation and crystal growth, the more pronounced tendency for phase separation in the CC/SS system compared to the CC/PP system, and the relatively better crystallization of the CC/PP mixtures, particularly visibly for x(CC)< or =0.3 compared to the CC/SS mixtures were associated with the chain length difference.

  6. Vibrational properties, phonon spectrum and related thermal parameters of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine: a theoretical study.

    PubMed

    Qian, Wen; Zhang, Weibin; Zong, Hehou; Gao, Guofang; Zhou, Yang; Zhang, Chaoyang

    2016-01-01

    The vibrational spectrum, phonon dispersion curve, and phonon density of states (DOS) of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX) crystal were obtained by molecular simulation and calculations. As results, it was found that the peaks at low frequency (0-2.5 THz) are comparable with the experimental Terahertz absorption and the molecular vibrational modes are in agreement with previous reports. Thermodynamic properties including Gibbs free energy, enthalpy, and heat capacity as functions of temperature were obtained based on the calculated phonon spectrum. The heat capacity at normal temperature was calculated using linear fitting method, with a result consistent with experiments. Graphical Abstract Phonon spectrum and heat capacity of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine from DFT calculation.

  7. Synthesis and multi-spectroscopic DNA binding study of 1,3,4-oxadiazole and 1,3,4-thiadiazole derivatives of fatty acid

    NASA Astrophysics Data System (ADS)

    Hassan, Mohammad F.; Rauf, Abdul

    2016-01-01

    A facile and convenient synthesis of a series of fatty acid derivatives of 1,3,4-oxadiazole and 1,3,4-thiadiazole has been described. The key step of this protocol is the cyclization of acyl thiosemicarbazides via iodobenzene diacetate and methanesulfonic acid under mild conditions. The newly synthesized compounds were characterized by FT-IR, 1HNMR, 13CNMR and mass spectral study. The binding affinity of 5-(pentadecyl)-N-propenyl-1,3,4-oxadiazol-2-amine (3a) and 5-(heptadecyl)-2-amino-1,3,4-thiadiazole (6a) with CT-DNA has been evaluated by UV, fluorescence, Circular Dichroism (CD) and thermal denaturation studies. It has been found that these small and planer heteroaromatic compounds are capable of binding to the minor groove region of DNA.

  8. Synthesis and multi-spectroscopic DNA binding study of 1,3,4-oxadiazole and 1,3,4-thiadiazole derivatives of fatty acid.

    PubMed

    Hassan, Mohammad F; Rauf, Abdul

    2016-01-15

    A facile and convenient synthesis of a series of fatty acid derivatives of 1,3,4-oxadiazole and 1,3,4-thiadiazole has been described. The key step of this protocol is the cyclization of acyl thiosemicarbazides via iodobenzene diacetate and methanesulfonic acid under mild conditions. The newly synthesized compounds were characterized by FT-IR, (1)HNMR, (13)CNMR and mass spectral study. The binding affinity of 5-(pentadecyl)-N-propenyl-1,3,4-oxadiazol-2-amine (3a) and 5-(heptadecyl)-2-amino-1,3,4-thiadiazole (6a) with CT-DNA has been evaluated by UV, fluorescence, Circular Dichroism (CD) and thermal denaturation studies. It has been found that these small and planer heteroaromatic compounds are capable of binding to the minor groove region of DNA.

  9. 1H NMR for quantifying sulfide trapping efficiency by using 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane.

    PubMed

    Canuto, André V S; Echevarria, Aurea

    2014-07-01

    Hydrogen sulfide (H2S) is an extremely toxic colourless gas; it is corrosive and denser than air. It usually happens in oil and natural gas fields, refineries, coal mines, and in some industrial effluent treatment systems. This work presents an alternative method of monitoring and quantifying H2S trapping efficiency by using 1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane as a sequestering agent, and sodium sulfide as a source of sulfide ion, through (1)H NMR spectroscopy. The results proved that the reaction occurs very quickly at 20 °C at pH 7 and 10. 3,5-di(2-hydroxyethyl)-1,3,5-thiodiazinane and 5-(2-hydroxyethyl)-1,3,5-dithiozinane were observed and quantified; it was evidenced that (1)H NMR spectroscopy can be applied as a fast and effective method to quantify H2S trapping efficiency. Copyright © 2014 John Wiley & Sons, Ltd.

  10. Isolation of three hexahydro-1,3,5-trinitro-1,3,5-triazine-degrading species of the family Enterobacteriaceae from nitramine explosive-contaminated soil.

    PubMed Central

    Kitts, C L; Cunningham, D P; Unkefer, P J

    1994-01-01

    Three species of the family Enterobacteriaceae that biochemically reduced hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) were isolated from nitramine explosive-contaminated soil. Two isolates, identified as Morganella morganii and Providencia rettgeri, completely transformed both RDX and the nitroso-RDX reduction intermediates. The third isolate, identified as Citrobacter freundii, partially transformed RDX and generated high concentrations of nitroso-RDX intermediates. All three isolates produced 14CO2 from labeled RDX under O2-depleted culture conditions. While all three isolates transformed HMX, only M. morganii transformed HMX in the presence of RDX. PMID:7811097

  11. Highly enantioselective intramolecular 1,3-dipolar cycloaddition: a route to piperidino-pyrrolizidines.

    PubMed

    Vidadala, Srinivasa Rao; Golz, Christopher; Strohmann, Carsten; Daniliuc, Constantin-G; Waldmann, Herbert

    2015-01-07

    Enantioselective catalytic intermolecular 1,3-dipolar cycloadditions are powerful methods for the synthesis of heterocycles. In contrast, intramolecular enantioselective 1,3-dipolar cycloadditions are virtually unexplored. A highly enantioselective synthesis of natural-product-inspired pyrrolidino-piperidines by means of an intramolecular 1,3-dipolar cycloaddition with azomethine ylides is now reported. The method has a wide scope and yields the desired cycloadducts with four tertiary stereogenic centers with up to 99% ee. Combining the enantioselective catalytic intramolecular 1,3-dipolar cycloaddition with a subsequent diastereoselective intermolecular 1,3-dipolar cycloaddition yielded complex piperidino-pyrrolizidines with very high stereoselectivity in a one-pot tandem reaction.

  12. 1,3-Propanediol production from crude glycerol from Jatropha biodiesel process.

    PubMed

    Hiremath, Anand; Kannabiran, Mithra; Rangaswamy, Vidhya

    2011-01-31

    The present report describes production of 1,3-propanediol by Klebsiella pneumoniae ATCC 15380 from crude glycerol from jatropha biodiesel process. Optimization resulted in a yield of up to 56g/L of 1,3-propanediol. A conversion rate of 0.85mol 1,3-propanediol/mol of glycerol has been obtained. Downstream processing to isolate 1,3-propanediol from the fermentation broth resulted in 99.7% pure product with a recovery of 34%. The pure 1,3-propanediol was polymerized with terephthalic acid successfully to yield polytrimethylene terephthalate.

  13. Expression of 1,3-propanediol oxidoreductase and its isoenzyme in Klebsiella pneumoniae for bioconversion of glycerol into 1,3-propanediol.

    PubMed

    Zhuge, Bin; Zhang, Cheng; Fang, Huiying; Zhuge, Jian; Permaul, Kugen

    2010-08-01

    In the Klebsiella pneumoniae reduction pathway for 1,3-propanediol (1,3-PD) synthesis, glycerol is first dehydrated to 3-hydroxypropionaldehyde (3-HPA) and then reduced to 1,3-PD with NADH consumption. Rapid conversion of 3-HPA to 1,3-PD is one of the ways to improve the yield of 1,3-PD from glycerol and to avoid 3-HPA accumulation, which depends on enzyme activity of the reaction and the amount of reducing equivalents available from the oxidative pathway of glycerol. In the present study, the yqhD gene, encoding 3-propanediol oxidoreductase isoenzyme from Escherichia coli and the dhaT gene, encoding 3-propanediol oxidoreductase from K. pneumoniae were expressed individually and co-expressed in K. pneumoniae using the double tac promoter expression plasmid pEtac-dhaT-tac-yqhD. The three resultant recombinant strains (K. pneumoniae/pEtac-yqhD, K. pneumoniae/pEtac-dhaT, and K. pneumoniae/pEtac-dhaT-tac-yqhD) were used for fermentation studies. Experimental results showed that the peak values for 3-HPA production in broth of the three recombinant strains were less than 25% of that of the parent strain. Expression of dhaT reduced formation of by-products (ethanol and lactic acid) and increased molar yield of 1,3-PD slightly, while expression of yqhD did not enhance molar yield of 1,3-PD, but increased ethanol concentration in broth as NADPH participation in transforming 3-HPA to 1,3-PD allowed more cellular NADH to be used to produce ethanol. Co-expression of both genes therefore decreased by-products and increased the molar yield of 1,3-PD by 11.8%, by catalyzing 3-HPA conversion to 1,3-propanediol using two cofactors (NADH and NADPH). These results have important implications for further studies involving use of YqhD and DhaT for bioconversion of glycerol into 1,3-PD.

  14. Role of Nitrogen Limitation in Transformation of RDX (Hexahydro-1,3,5-Trinitro-1,3,5-Triazine) by Gordonia sp. Strain KTR9

    PubMed Central

    Hancock, Dawn E.; Jung, Carina M.; Eberly, Jed O.; Mohn, William W.; Eltis, Lindsay D.; Crocker, Fiona H.

    2013-01-01

    The transcriptome of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine)-degrading strain Gordonia sp. strain KTR9 and its glnR mutant were studied as a function of nitrogen availability to further investigate the observed ammonium-mediated inhibition of RDX degradation. The results indicate that nitrogen availability is a major determinant of RDX degradation and xplA gene expression in KTR9. PMID:23275513

  15. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  16. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  17. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  18. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  19. 40 CFR 721.7280 - 1,3-Propanediamine, N,N′-1,2-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-ethanediylbis-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl...-, polymer with 2,4,6-trichloro-1,3,5-triazine, reaction products with N-butyl-2,2,6,6-tetramethyl-4..., reaction products with N-butyl-2,2,6,6-tetramethyl-4-piperidinamine (PMN P-89-632) is subject to...

  20. Synchrotron radiation-based 61Ni Mössbauer spectroscopic study of Li(Ni1/3Mn1/3Co1/3)O2 cathode materials of lithium ion rechargeable battery

    NASA Astrophysics Data System (ADS)

    Segi, Takashi; Masuda, Ryo; Kobayashi, Yasuhiro; Tsubota, Takayuki; Yoda, Yoshitaka; Seto, Makoto

    2016-12-01

    Layered rocksalt type oxides, such as Li(Ni1/3Mn1/3Co1/3)O2, are widely used as the cathode active materials of lithium-ion rechargeable batteries. Because the nickel ions are associated with the role of the charge compensation at discharge and charge, the 61Ni Mössbauer measurements at 6 K using synchrotron radiation were performed to reveal the role of Ni. The Ni ions of the active materials play two roles for the redox process between the charge and discharge states of lithium-ion batteries. Half of the total Ni ions change to the low-spin Ni3+ with Jahn-Teller distortion from the Ni2+ ions of the discharge state. The remainder exhibit low-spin state divalent Ni ions.

  1. 1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether as a co-solvent for high voltage LiNi1/3Co1/3Mn1/3O2/graphite cells

    NASA Astrophysics Data System (ADS)

    Wang, Chengyun; Zuo, Xiaoxi; Zhao, Minkai; Xiao, Xin; Yu, Le; Nan, Junmin

    2016-03-01

    1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether (F-EAE) mixed with ethylene carbonate (EC), diethyl carbonate (DEC), and lithium hexafluorophosphate (LiPF6) is evaluated as a co-solvent high-potential electrolyte of LiNi1/3Co1/3Mn1/3O2/graphite batteries. Linear sweep voltammetry (LSV) and cyclic voltammetry (CV) indicate that the EC/DEC-based electrolyte with F-EAE possesses a high oxidation potential (>5.2 V vs. Li/Li+) and excellent film-forming characteristics. With 40 wt% F-EAE in the electrolyte, the capacity retention of the LiNi1/3Co1/3Mn1/3O2/graphite pouch cells that are cycled between 3.0 and 4.5 V is significantly improved from 28.8% to 86.8% after 100 cycles. In addition, electrochemical impedance spectroscopy (EIS) of three-electrode pouch cells, scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) are used to characterize the effects of F-EAE on the enhanced capacity retention. It is demonstrated that F-EAE facilitates the formation of a stable surface electrolyte interface (SEI) layer with low impedance on the anode and effectively suppresses an increase in the charge-transfer resistance on the cathode. These results suggest that F-EAE can serve as an alternative electrolyte solvent for 4.5 V high voltage rechargeable lithium-ion batteries.

  2. Reactive surface area of the Li(x)(Co(1/3)Ni(1/3)Mn(1/3))O2 electrode determined by μ(+)SR and electrochemical measurements.

    PubMed

    Sugiyama, Jun; Mukai, Kazuhiko; Harada, Masashi; Nozaki, Hiroshi; Miwa, Kazutoshi; Shiotsuki, Taishi; Shindo, Yohei; Giblin, Sean R; Lord, James S

    2013-07-07

    The self-diffusion coefficient of Li(+) ions (D(Li)) in the positive electrode material Li(x)(Co(1/3)Ni(1/3)Mn(1/3))O2 has been estimated by muon-spin relaxation (μ(+)SR) using powder samples with x = 1-0.49, which were prepared by an electrochemical reaction in a Li-ion battery. Here, since the implanted muons sense a slight change in the internal magnetic field due to Li-diffusion, μ(+)SR provides an intrinsic D(Li) through the temperature dependence of the nuclear field fluctuation rate (ν) [Sugiyama et al., Phys. Rev. Lett., 2009, 103, 147601]. Both D(Li) at 300 K and activation energy (E(a)) were estimated to be ∼2.9 × 10(-12) cm(2) s(-1) and 0.074 eV for the x = 1 sample, ∼11.0 × 10(-12) cm(2) s(-1) and 0.097 eV for x = 0.70, and ∼8.9 × 10(-12) cm(2) s(-1) and 0.062 eV for x = 0.49, assuming that the diffusing Li(+) ions mainly jump from a regular occupied site to a regular vacant site. The estimated D(Li) was smaller by roughly one order of magnitude than those for Li(x)CoO2 in the whole x range measured. Furthermore, by making comparison with D(Li) obtained by electrochemical measurements, the reactive surface area of the Li(x)(Co(1/3)Ni(1/3)Mn(1/3))O2 electrode in a liquid electrolyte was found to strongly depend on x particularly at x > 0.8.

  3. Electrochemical performance and kinetics of Li 1+ x(Co 1/3Ni 1/3Mn 1/3) 1- xO 2 cathodes and graphite anodes in low-temperature electrolytes

    NASA Astrophysics Data System (ADS)

    Smart, M. C.; Whitacre, J. F.; Ratnakumar, B. V.; Amine, K.

    Lithium-ion batteries have started replacing the conventional aqueous nickel-based battery systems in space applications, such as planetary landers, rovers, orbiters and satellites. The reasons for such widespread use of these batteries are the savings in mass and volume of the power subsystems, resulting from their high gravimetric and volumetric energy densities, and their ability to operate at extreme temperatures. In our pursuit to further enhance the specific energy as well as low-temperature performance of Li-ion batteries, we have been investigating various layered lithiated metal oxides, e.g., LiCoO 2, LiNi 0.8Co 0.2 and LiNi 0.8Co 0.15Al 0.05O 2, as well as different low-temperature electrolytes, including ternary and quaternary carbonate mixtures with various co-solvents. In this paper, we report our recent studies on Li 1+ x(Co 1/3Ni 1/3Mn 1/3) 1- xO 2 cathodes, combined with three different low-temperature electrolytes, i.e.: (1) 1.0 M LiPF 6 in EC:EMC (20:80), (2) 1.2 M LiPF 6 in EC:EMC (20:80) and (3) 1.2 M LiPF 6 in EC:EMC (30:70). Electrical performance characteristics were determined in laboratory glass cells at different discharge rates and different temperatures. Further, individual electrode kinetics of both Li 1+ x(Co 1/3Ni 1/3Mn 1/3) 1- xO 2 cathodes and MCMB graphite anodes were determined at different temperatures, using dc micropolarization, Tafel polarization and electrochemical impedance spectroscopy (EIS). Analysis of these data has led to interesting trends relative to the effects of solvent composition and salt concentration, on the electrical performance and on the kinetics of cathode and anode.

  4. Determination of lithium and transition metals in Li1 Ni1/3 Co1/3 Mn1/3 O2 (NCM) cathode material for lithium-ion batteries by capillary electrophoresis.

    PubMed

    Vortmann-Westhoven, Britta; Lürenbaum, Constantin; Winter, Martin; Nowak, Sascha

    2017-02-01

    In this work, we present a novel electrophoretic method that was developed for the determination of lithium and transition metals in LiNi1/3 Co1/3 Mn1/3 O2 cathode material after microwave digestion. The cations in the digested LiNi1/3 Co1/3 Mn1/3 O2 material were separated by CE and the element content was determined by UV/Vis detection. To characterize the precision of the measurements, the RSDs and concentrations were calculated and compared to those obtained with ICP-optical emission spectrometry (ICP-OES). Furthermore, a certified reference material (BCR 176R-fly ash) was investigated for all techniques. For active material components, the LOD and LOQ were determined. The LODs and LOQs for the metals determined by CE were as follows: lithium (LOD/LOQ): 17.41/62.70 μg/L, cobalt (LOD/LOQ): 348.4/1283 μg/L, manganese (LOD/LOQ): 540.2/2095 μg/L, and nickel (LOD/LOQ): 838.0/2982 μg/L. Recovery rates for lithium were in the range of 95-103%. It could be proven that with the new technique, the results for the determination of the lithium content of active material were comparable with those obtained by ICP-OES and ion chromatography. Furthermore, the recovery rates of the transition metals were determined to be between 96 and 110% by CE and ICP-OES.

  5. Experimental and Theoretical Study of the Structures and Enthalpies of Formation of the Synthetic Reagents 1,3-Thiazolidine-2-thione and 1,3-Oxazolidine-2-thione

    NASA Astrophysics Data System (ADS)

    Roux, María Victoria; Temprado, Manuel; Jiménez, Pilar; Foces-Foces, Concepción; Notario, Rafael; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Deakyne, Carol A.; Ludden, Alicia K.; Liebman, Joel F.

    2009-09-01

    This paper reports an experimental and a theoretical study of the structures and standard (po = 0.1 MPa) molar enthalpies of formation of the synthetic reagents 1,3-thiazolidine-2-thione [CAS 96-53-7] and 1,3-oxazolidine-2-thione [CAS 5840-81-3]. The enthalpies of combustion and sublimation were measured by rotary bomb combustion calorimetry, and the Knudsen effusion technique and gas-phase enthalpies of formation values at T = 298.15 K of (97.1 ± 4.0) and -(74.4 ± 4.6) kJ·mol-1 for 1,3-thiazolidine-2-thione and 1,3-oxazolidine-2-thione, respectively, were determined. G3-calculated enthalpies of formation are in reasonable agreement with the experimental values. In the solid state, 1,3-thiazolidine-2-thione exists in two polymorphic forms (monoclinic and triclinic) and 1,3-oxazolidine-2-thione exits in the triclinic form. The isostructural nature of these compounds and comparison of their molecular and crystal structures have been analyzed. The experimental X-ray powder diffractograms have been compared with the calculated patterns from their structures for identification of the polymorphic samples used in this study. A comparison of our results with literature thermochemical and structural data for related compounds is also reported.

  6. Biosynthesis of R-(+)-octane-1,3-diol. Crucial role of beta-oxidation in the enantioselective generation of 1,3-diols in stored apples.

    PubMed

    Beuerle, T; Schwab, W

    1999-06-01

    The biosynthesis of R-octane-1,3-diol and R-5(Z)-octene-1,3-diol, two natural antimicrobial agents in apples and pears, was investigated in stored apples after application of [9,10,12,13-3H]linoleic acid, [9,10,12,13,15,16-3H]linolenic acid, [1-14C]linoleic acid, [U-14C]oleic acid, lipoxygenase-derived metabolites of [9,10,12,13-3H]linoleic acid, 13C18-labeled linoleic acid hydroperoxides, and 2H-labeled octanol derivatives. Analysis of the products and quantification of incorporation and labeling pattern were achieved by high-performance liquid chromatography-radiodetection, capillary gas chromatography (GC)-isotope ratio mass spectrometry, and GC-mass spectrometry analysis. Almost all the applied precursors were partly transformed into R-octane-1,3-diol. Linoleic acid derivatives, still containing the 12,13 cis double bond, and octanol derivatives oxy-functionalized at carbon 3 were the most efficient precursors of the 1,3-diol. The data imply that R-octane-1,3-diol is generated in stored apples in the course of the beta-oxidation from R-3-hydroxy-octanoyl-SCoA originating from 2-cis-octenoyl-SCoA by enoyl-CoA hydratase. In an analogous fashion, R-5(Z)-octene-1,3-diol is formed from the unsaturated intermediate.

  7. Cell wall alpha1-3glucans induce the aggregation of germinating conidia of Aspergillus fumigatus.

    PubMed

    Fontaine, Thierry; Beauvais, Anne; Loussert, Céline; Thevenard, Benoît; Fulgsang, Claus C; Ohno, Naohito; Clavaud, Cécile; Prevost, Marie-Christine; Latgé, Jean-Paul

    2010-08-01

    The germination of Aspergillus fumigatus conidia can be divided into four stages: breaking of dormancy, isotropic swelling, establishment of cell polarity, and formation of a germ tube. Swelling of conidia is associated in liquid medium with a multi-cellular aggregation that produced large clumps of conidia. Conidial aggregation can be specifically prevented by the addition of alpha1-3glucanase. Swollen conidia specifically adhere to insoluble alpha1-3glucan chains. Electron microscopy studies showed that cell wall alpha1-3glucan chains became exposed at the cell surface during the swelling. These results demonstrate that cell wall alpha1-3glucans play an essential role in the aggregation between swollen conidia. Experiments with alpha1-3glucan coated latex beads show that alpha1-3glucan chains interacted between them without the requirement of any other cell wall component suggesting that biophysical properties of alpha1-3glucans are solely responsible for conidial aggregation.

  8. Reaction of ketones with 1,4-diaza-1,3-diene zirconium and hafnium complexes: First example of a 1,3-dipolar cycloaddition reaction of 1,4-diaza-1,3-diene complexes of early transition metals

    SciTech Connect

    Scholz, J.; Goerls, H.

    1996-07-17

    The chemical preparation of M[O(R)PhCH(CH{double_bond}N(tBu))N(tBu)]{sub 2} (M = Zr, R = Me (4a), R = Ph (4b) and M = Hf, R = Me (5a), R = Ph (5b)) complexes is described. The reaction can be described as a 1,3-dipolar cycloaddition of C{double_bond}O across the M-N-C portion of Zr and Hf 1,4-diaza-1,3-diene complexes. The crystal structures of 4a and 5b are reported.

  9. Preparation of thick-film LiNi1/3Co1/3Mn1/3O2 electrodes by aerosol deposition and its application to all-solid-state batteries

    NASA Astrophysics Data System (ADS)

    Iwasaki, Shinya; Hamanaka, Tadashi; Yamakawa, Tomohiro; West, William C.; Yamamoto, Kazuo; Motoyama, Munekazu; Hirayama, Tsukasa; Iriyama, Yasutoshi

    2014-12-01

    We prepared thick and dense-crystalline LiNi1/3Co1/3Mn1/3O2 (NMC) composite films at room temperature that can work well as cathodes in all-solid-state battery cells. The thick films were fabricated by aerosol deposition using NMC powder (D50 = 10.61 μm) as a source material. Commercially-obtained NMC powder did not form films at all on silicon wafer substrates, and cracking of the substrates was observed. However, a few tens of nanometer coating with amorphous niobium oxide resulted in the deposition of 7 μm-thick crystalline dense composite films. The films were successfully fabricated also on Li+-conductive glass-ceramic sheets with 150 μm in thickness, and all-solid-state batteries were fabricated. The solid-state battery provided a cathode-basis discharge capacity of 152 mAh g-1 (3.0-4.2 V, 0.025 C, 333 K) and repeated charge-discharge cycles for 20 cycles.

  10. Metabolic engineering of 1,3-propanediol production from glycerol and from sugars

    SciTech Connect

    Skraly, F.A.; Hoffman, M.L.; Cameron, D.C.

    1996-10-01

    1,3-propanediol (1,3-PD) is currently a specialty chemical, but it has the potential to become a large volume commodity chemical as a component of polypropylene terephthalate (PPT, also known as polytrimethylene terephthalate, PTT). The current commercial routes to 1,3-PD start from propylene or ethylene. The focus of this work is the development of routes to 1,3-PD from renewable substrates such as glycerol and sugars. Several naturally occurring bacteria ferment glycerol to 1,3-PD. Previously, we have cloned the 1,3-PD pathway genes from one such organism, Klebsiella pneumoniae. Here we report the construction of synthetic 1,3-PD operons and the expression of the 1,3-PD pathway in various host organisms. No known organisms produce 1,3-PD from sugars. We have investigated various strategies for the construction of organisms with a {open_quotes}sugars to 1,3-PD{close_quotes} pathway. One such strategy involves the use of a novel glycerol phosphatase.

  11. Disruption of Kv1.3 Channel Forward Vesicular Trafficking by Hypoxia in Human T Lymphocytes*

    PubMed Central

    Chimote, Ameet A.; Kuras, Zerrin; Conforti, Laura

    2012-01-01

    Hypoxia in solid tumors contributes to decreased immunosurveillance via down-regulation of Kv1.3 channels in T lymphocytes and associated T cell function inhibition. However, the mechanisms responsible for Kv1.3 down-regulation are not understood. We hypothesized that chronic hypoxia reduces Kv1.3 surface expression via alterations in membrane trafficking. Chronic hypoxia decreased Kv1.3 surface expression and current density in Jurkat T cells. Inhibition of either protein synthesis or degradation and endocytosis did not prevent this effect. Instead, blockade of clathrin-coated vesicle formation and forward trafficking prevented the Kv1.3 surface expression decrease in hypoxia. Confocal microscopy revealed an increased retention of Kv1.3 in the trans-Golgi during hypoxia. Expression of adaptor protein-1 (AP1), responsible for clathrin-coated vesicle formation at the trans-Golgi, was selectively down-regulated by hypoxia. Furthermore, AP1 down-regulation increased Kv1.3 retention in the trans-Golgi and reduced Kv1.3 currents. Our results indicate that hypoxia disrupts AP1/clathrin-mediated forward trafficking of Kv1.3 from the trans-Golgi to the plasma membrane thus contributing to decreased Kv1.3 surface expression in T lymphocytes. PMID:22134923

  12. Unconventional EGF-induced ERK1/2-mediated Kv1.3 endocytosis.

    PubMed

    Martínez-Mármol, Ramón; Comes, Núria; Styrczewska, Katarzyna; Pérez-Verdaguer, Mireia; Vicente, Rubén; Pujadas, Lluís; Soriano, Eduardo; Sorkin, Alexander; Felipe, Antonio

    2016-04-01

    The potassium channel Kv1.3 plays roles in immunity, neuronal development and sensory discrimination. Regulation of Kv1.3 by kinase signaling has been studied. In this context, EGF binds to specific receptors (EGFR) and triggers tyrosine kinase-dependent signaling, which down-regulates Kv1.3 currents. We show that Kv1.3 undergoes EGF-dependent endocytosis. This EGF-mediated mechanism is relevant because is involved in adult neural stem cell fate determination. We demonstrated that changes in Kv1.3 subcellular distribution upon EGFR activation were due to Kv1.3 clathrin-dependent endocytosis, which targets the Kv1.3 channels to the lysosomal degradative pathway. Interestingly, our results further revealed that relevant tyrosines and other interacting motifs, such as PDZ and SH3 domains, were not involved in the EGF-dependent Kv1.3 internalization. However, a new, and yet undescribed mechanism, of ERK1/2-mediated threonine phosphorylation is crucial for the EGF-mediated Kv1.3 endocytosis. Our results demonstrate that EGF triggers the down-regulation of Kv1.3 activity and its expression at the cell surface, which is important for the development and migration of adult neural progenitors.

  13. Biodegradation of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine and Its Mononitroso Derivative Hexahydro-1-Nitroso-3,5-Dinitro-1,3,5-Triazine by Klebsiella pneumoniae Strain SCZ-1 Isolated from an Anaerobic Sludge

    PubMed Central

    Zhao, Jian-Shen; Halasz, Annamaria; Paquet, Louise; Beaulieu, Chantale; Hawari, Jalal

    2002-01-01

    In previous work, we found that an anaerobic sludge efficiently degraded hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), but the role of isolates in the degradation process was unknown. Recently, we isolated a facultatively anaerobic bacterium, identified as Klebsiella pneumoniae strain SCZ-1, using MIDI and the 16S rRNA method from this sludge and employed it to degrade RDX. Strain SCZ-1 degraded RDX to formaldehyde (HCHO), methanol (CH3OH) (12% of total C), carbon dioxide (CO2) (72% of total C), and nitrous oxide (N2O) (60% of total N) through intermediary formation of methylenedinitramine (O2NNHCH2NHNO2). Likewise, hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) was degraded to HCHO, CH3OH, and N2O (16.5%) with a removal rate (0.39 μmol · h−1 · g [dry weight] of cells−1) similar to that of RDX (0.41 μmol · h−1 · g [dry weight] of cells−1) (biomass, 0.91 g [dry weight] of cells · liter−1). These findings suggested the possible involvement of a common initial reaction, possibly denitration, followed by ring cleavage and decomposition in water. The trace amounts of MNX detected during RDX degradation and the trace amounts of hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine detected during MNX degradation suggested that another minor degradation pathway was also present that reduced —NO2 groups to the corresponding —NO groups. PMID:12406722

  14. A bimetallic aluminum(salen) complex for the synthesis of 1,3-oxathiolane-2-thiones and 1,3-dithiolane-2-thiones.

    PubMed

    Clegg, William; Harrington, Ross W; North, Michael; Villuendas, Pedro

    2010-09-17

    The combined use of the bimetallic aluminum(salen) complex [Al(salen)](2)O and tetrabutylammonium bromide (or tributylamine) is found to catalyze the reaction between epoxides and carbon disulfide. In most cases, at 50 °C, the reaction produces 1,3-oxathiolane-2-thiones, while at 90 °C, 1,3-dithiolane-2-thiones are the main product. The structure and stereochemistry of three of the 1,3-dithiolane-2-thiones is unambiguously determined by X-ray crystallographic analysis, and this is used to correct errors in the literature concerning the synthesis of cyclic di- and trithiocarbonates. The kinetics of 1,3-oxathiolane-2-thione synthesis are determined, and the resulting rate equation, along with a stereochemical analysis of the reaction and catalyst modification studies, is used to determine a mechanism for the synthesis of 1,3-oxathiolane-2-thiones which contrasts with the mechanism previously determined for cyclic carbonate synthesis using the same bimetallic aluminum(salen) complex.

  15. Characterization of Metabolites during Biodegradation of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) with Municipal Anaerobic Sludge†

    PubMed Central

    Hawari, Jalal; Halasz, Annamaria; Sheremata, Tamara; Beaudet, Sylvie; Groom, Carl; Paquet, Louise; Rhofir, Chakib; Ampleman, Guy; Thiboutot, Sonia

    2000-01-01

    The biodegradation of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in liquid cultures with municipal anaerobic sludge showed that at least two degradation routes were involved in the disappearance of the cyclic nitramine. In one route, RDX was reduced to give the familiar nitroso derivatives hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) and hexahydro-1,3-dinitroso-5-nitro-1,3,5-triazine (DNX). In the second route, two novel metabolites, methylenedinitramine [(O2NNH)2CH2] and bis(hydroxymethyl)nitramine [(HOCH2)2NNO2], formed and were presumed to be ring cleavage products produced by enzymatic hydrolysis of the inner C—N bonds of RDX. None of the above metabolites accumulated in the system, and they disappeared to produce nitrous oxide (N2O) as a nitrogen-containing end product and formaldehyde (HCHO), methanol (MeOH), and formic acid (HCOOH) that in turn disappeared to produce CH4 and CO2 as carbon-containing end products. PMID:10831452

  16. Influence of solvents on species crossover and capacity decay in non-aqueous vanadium redox flow batteries: Characterization of acetonitrile and 1, 3 dioxolane solvent mixture

    NASA Astrophysics Data System (ADS)

    Bamgbopa, Musbaudeen O.; Almheiri, Saif

    2017-02-01

    The importance of the choice of solvent in a non-aqueous redox flow battery (NARFB) cannot be overemphasized. Several studies demonstrated the influence of the solvent on electrolyte performance in terms of reaction rates, energy/power densities, and efficiencies. In this work, we investigate capacity decay as a direct consequence of varying reactant crossover rates through membranes in different solvent environments. Specifically, we demonstrate the superiority of an 84/16 vol% acetonitrile/1,3 dioxolane solvent mixture over pure acetonitrile in terms of energy efficiency (up to 89%) and capacity retention for vanadium NARFBs - while incorporating a Nafion 115 membrane. The permeability of Nafion to the vanadium acetylacetonate active species is an order of magnitude lower when pure acetonitrile is replaced by the solvent mixture. A method to estimate relative membrane permeability is formulated from numerical analysis of self-discharge experimental data. Furthermore, tests on a modified Nafion/SiO2 membrane, which generally offered low species permeability, also show that different solvents alter membrane permeability. Elemental and morphological analyses of cycled Nafion and NafionSi membranes in different solvent environments indicate that different crossover rates induced by the choice of solvent during cycling are due to changes in the membrane microstructure, intrinsic permeability, swelling rates, and chemical stability.

  17. Safeguards Summary Event List (SSEL), January 1, 1990--December 31, 1996, Vol. 2, Rev. 5

    SciTech Connect

    1997-07-01

    The Safeguards Summary Event List (SSEL), Vol. 2, Rev. 5, provides brief summaries of several hundred safeguards-related events involving nuclear material or facilities regulated by the US Nuclear Regulatory Commission (NRC) which occurred and were reported from January 1, 1990, through December 31, 1996. Because of public interest, the Miscellaneous category includes a few events which involve either source material, byproduct material, or natural uranium which are exempt from safeguards requirements. Events are described under the categories of Bomb-related, Intrusion, Missing and/or Allegedly Stolen, Transportation-related, Tampering/Vandalism, Arson, Firearms, Radiological Sabotage, Nonradiological Sabotage, and Miscellaneous. The information contained in the event descriptions is derived primarily from official NRC reporting channels.

  18. Strengthening of Al/20 vol pct TiC composites by isothermal heat treatment

    SciTech Connect

    Satyaprasad, K.; Mahajan, Y.R.; Bhanuprasad, V.V. )

    1992-03-01

    A chemical potential gradient exists across the reinforcement/matrix interface of metal-matrix composites which serves as the basis for either diffusion or chemical reaction between the two components at high temperatures. While poor control of this reaction may degrade mechanical properties, it may also be employed to improve them. Such improvements as an increase in elastic modulus in the case of Al-Mg/SiC(p) are attributable to improved load transfer, due either to an interactive diffusion process at the interface or the 'keying' effect of interfacial Al4C3. A systematic study is presently undertaken of the effects of 600 C exposure on the microstructure and mechanical properties of Al/20 vol pct TiC; a reduction in tensile ductility is associated with an increase in strength and elastic modulus. 5 refs.

  19. Curdlan and other bacterial (1-->3)-beta-D-glucans.

    PubMed

    McIntosh, M; Stone, B A; Stanisich, V A

    2005-08-01

    Three structural classes of (1-->3)-beta-D-glucans are encountered in some important soil-dwelling, plant-associated or human pathogenic bacteria. Linear (1-->3)-beta-glucans and side-chain-branched (1-->3,1-->2)-beta-glucans are major constituents of capsular materials, with roles in bacterial aggregation, virulence and carbohydrate storage. Cyclic (1-->3,1-->6)-beta-glucans are predominantly periplasmic, serving in osmotic adaptation. Curdlan, the linear (1-->3)-beta-glucan from Agrobacterium, has unique rheological and thermal gelling properties, with applications in the food industry and other sectors. This review includes information on the structure, properties and molecular genetics of the bacterial (1-->3)-beta-glucans, together with an overview of the physiology and biotechnology of curdlan production and applications of this biopolymer and its derivatives.

  20. 43 CFR 5441.1-3 - SBA set-aside sales.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false SBA set-aside sales. 5441.1-3 Section 5441.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR FOREST MANAGEMENT (5000) CONDUCT OF SALES Advertised Sales § 5441.1-3 SBA set-aside sales. Only bids of small business...

  1. Automated glycan assembly of branched β-(1,3)-glucans to identify antibody epitopes.

    PubMed

    Weishaupt, M W; Hahm, H S; Geissner, A; Seeberger, P H

    2017-03-23

    β-(1,3)-Glucans exhibit immunomodulatory and anti-tumor effects. Since the isolation of pure β-(1,3)-glucan oligosaccharides from natural sources is complicated, especially when certain branching patterns are desired, chemical synthesis is frequently the only means of accessing these molecules. We report the iterative automated glycan assembly (AGA) of conjugation-ready linear and branched β-(1,3)-glucan oligosaccharides.

  2. 49 CFR 173.64 - Exceptions for Division 1.3 and 1.4 fireworks.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 2 2014-10-01 2014-10-01 false Exceptions for Division 1.3 and 1.4 fireworks. 173... § 173.64 Exceptions for Division 1.3 and 1.4 fireworks. (a) Notwithstanding the requirements of § 173.56(b), Division 1.3 and 1.4 fireworks (see § 173.65 for Division 1.4G consumer fireworks) may...

  3. 49 CFR 173.64 - Exceptions for Division 1.3 and 1.4 fireworks.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 2 2013-10-01 2013-10-01 false Exceptions for Division 1.3 and 1.4 fireworks. 173... § 173.64 Exceptions for Division 1.3 and 1.4 fireworks. (a) Notwithstanding the requirements of § 173.56(b), Division 1.3 and 1.4 fireworks (see § 173.65 for Division 1.4G consumer fireworks) may...

  4. Tandem Synthesis of α-Diazoketones from 1,3-Diketones.

    PubMed

    Zhang, Jianlan; Chen, Wenwen; Huang, Dayun; Zeng, Xiaobao; Wang, Xinyan; Hu, Yuefei

    2017-09-01

    A highly efficient synthesis of α-diazoketone was achieved by simply stirring the mixture of 1,3-diketone, TsN3, and MeNH2 in EtOH. It was a tandem reaction including a novel primary amine-catalyzed Regitz diazo transfer of 1,3-diketone and a novel primary amine-mediated C-C bond cleavage of 2-diazo-1,3-diketone.

  5. Effect of cassava pulp supplement on 1,3-propanediol production by Clostridium butyricum.

    PubMed

    Apiwatanapiwat, Waraporn; Vaithanomsat, Pilanee; Tachaapaikoon, Chakrit; Ratanakhanokchai, Khanok; Kosugi, Akihiko

    2016-07-20

    To improve its 1,3-propanediol (1,3-PD) production, Clostridium butyricum was cultivated on glycerol medium supplemented with cassava pulp (CP). At small concentrations, the CP improved the 1,3-PD productivity of C. butyricum from (0.25±0.01)g/L/h (glycerol alone) to (0.43±0.02)g/L/h (glycerol+2g/L CP) after 24h fermentation.

  6. Emission spectra of the cations of 1,3- and 1,4-dibromotetrafluorobenzene and of 1,3,5-tribromotrifluorobenzene in the gaseous phase

    USGS Publications Warehouse

    Maier, John Paul; Marthaler, O.; Mohraz, Manijeh; Shiley, R.H.

    1980-01-01

    A search was made for radiative decay of electronically excited cations of 24 bromobenzenes and of their fluoro-substituted derivatives in the gaseous phase. The only emission spectra detected were for the cations of 1,3- and 1,4-dibromotetrafluorobenzene and of 1,3,5-tribromotrifluorobenzene. The band systems, which are found between 670 and 830 nm, are assigned to the B(??-1) ??? A(??-1), X(??-1) electronic transitions of these cations. The assignments are based on the Ne(I) photoelectron spectra which are also presented for some of the studied species. The interpretation for the absence of detectable emission is that the nature of the B cationic states is ??-1, except in the case of 1,3- and 1,4-dibromobenzene cations for which B states are still formed by ??-1 processes. Possible reasons for these observations are discussed. The symmetries of the lowest three electronic states of the studied cations are given. ?? 1980.

  7. Molecular Consequences of Proprotein Convertase 1/3 (PC1/3) Inhibition in Macrophages for Application to Cancer Immunotherapy: A Proteomic Study*

    PubMed Central

    Duhamel, Marie; Rodet, Franck; Delhem, Nadira; Vanden Abeele, Fabien; Kobeissy, Firas; Nataf, Serge; Pays, Laurent; Desjardins, Roxanne; Gagnon, Hugo; Wisztorski, Maxence; Fournier, Isabelle; Day, Robert; Salzet, Michel

    2015-01-01

    Macrophages provide the first line of host immune defense. Their activation triggers the secretion of pro-inflammatory cytokines and chemokines recruiting other immune cells. In cancer, macrophages present an M2 anti-inflammatory phenotype promoting tumor growth. In this way, strategies need to be develop to reactivate macrophages. Previously thought to be expressed only in cells with a neural/neuroendocrine phenotype, the proprotein convertase 1/3 has been shown to also be expressed in macrophages and regulated as a function of the Toll-like receptor immune response. Here, we investigated the intracellular impact of the down-regulation of the proprotein convertase 1/3 in NR8383 macrophages and confirmed the results on macrophages from PC1/3 deficient mice. A complete proteomic study of secretomes and intracellular proteins was undertaken and revealed that inhibition of proprotein convertase 1/3 orient macrophages toward an M1 activated phenotype. This phenotype is characterized by filopodial extensions, Toll-like receptor 4 MyD88-dependent signaling, calcium entry augmentation and the secretion of pro-inflammatory factors. In response to endotoxin/lipopolysaccharide, these intracellular modifications increased, and the secreted factors attracted naïve T helper lymphocytes to promote the cytotoxic response. Importantly, the application of these factors onto breast and ovarian cancer cells resulted in a decrease viability or resistance. Under inhibitory conditions using interleukin 10, PC1/3-knockdown macrophages continued to secrete inflammatory factors. These data indicate that targeted inhibition of proprotein convertase 1/3 could represent a novel type of immune therapy to reactivate intra-tumoral macrophages. PMID:26330543

  8. Molecular Consequences of Proprotein Convertase 1/3 (PC1/3) Inhibition in Macrophages for Application to Cancer Immunotherapy: A Proteomic Study.

    PubMed

    Duhamel, Marie; Rodet, Franck; Delhem, Nadira; Vanden Abeele, Fabien; Kobeissy, Firas; Nataf, Serge; Pays, Laurent; Desjardins, Roxanne; Gagnon, Hugo; Wisztorski, Maxence; Fournier, Isabelle; Day, Robert; Salzet, Michel

    2015-11-01

    Macrophages provide the first line of host immune defense. Their activation triggers the secretion of pro-inflammatory cytokines and chemokines recruiting other immune cells. In cancer, macrophages present an M2 anti-inflammatory phenotype promoting tumor growth. In this way, strategies need to be develop to reactivate macrophages. Previously thought to be expressed only in cells with a neural/neuroendocrine phenotype, the proprotein convertase 1/3 has been shown to also be expressed in macrophages and regulated as a function of the Toll-like receptor immune response. Here, we investigated the intracellular impact of the down-regulation of the proprotein convertase 1/3 in NR8383 macrophages and confirmed the results on macrophages from PC1/3 deficient mice. A complete proteomic study of secretomes and intracellular proteins was undertaken and revealed that inhibition of proprotein convertase 1/3 orient macrophages toward an M1 activated phenotype. This phenotype is characterized by filopodial extensions, Toll-like receptor 4 MyD88-dependent signaling, calcium entry augmentation and the secretion of pro-inflammatory factors. In response to endotoxin/lipopolysaccharide, these intracellular modifications increased, and the secreted factors attracted naïve T helper lymphocytes to promote the cytotoxic response. Importantly, the application of these factors onto breast and ovarian cancer cells resulted in a decrease viability or resistance. Under inhibitory conditions using interleukin 10, PC1/3-knockdown macrophages continued to secrete inflammatory factors. These data indicate that targeted inhibition of proprotein convertase 1/3 could represent a novel type of immune therapy to reactivate intra-tumoral macrophages.

  9. Three N-terminal domains of beta-1,3-glucanase A1 are involved in binding to insoluble beta-1,3-glucan.

    PubMed Central

    Watanabe, T; Kasahara, N; Aida, K; Tanaka, H

    1992-01-01

    Limited proteolysis of beta-1,3-glucanase A1 by three different proteases, trypsin, chymotrypsin, and papain, gave three major active fragments. The sizes of the three major fragments generated by each protease treatment were identical to those of beta-1,3-glucanase A2, A3, and A4 detected in both the culture supernatant of Bacillus circulans WL-12 and the periplasmic space of Escherichia coli carrying a cloned glcA gene. These results indicate a four-domain structure for the enzyme. At the N terminus of the glucanase, duplicated segments of approximately 100 amino acids were observed. N-terminal amino acid sequence analysis revealed that the active fragments with sizes corresponding to those of A2 and A3 lack the first segment (domain) and both duplicated segments (domains), respectively. The fragment corresponding to A4 lacks both duplicated segments and the following ca. 120-amino-acid region. By losing the first, second, and third (corresponding to the segment of 120 amino acids) domains, beta-1,3-glucanase progressively lost the ability to bind to pachyman, beta-1,3-glucan. An active fragment which did not have the three N-terminal domains did not show significant binding to pachyman. Thus, all three N-terminal domains contribute to binding to beta-1,3-glucan, and the presence of three domains confers the highest binding activity on the glucanase. The loss of these binding domains remarkably decreased pachyman-hydrolyzing activity, indicating that the binding activity is essential for the efficient hydrolysis of insoluble beta-1,3-glucan. Images PMID:1729208

  10. Potassium channel Kv1.3 is highly expressed by microglia in human Alzheimer's disease.

    PubMed

    Rangaraju, Srikant; Gearing, Marla; Jin, Lee-Way; Levey, Allan

    2015-01-01

    Recent genetic studies suggest a central role for innate immunity in Alzheimer's disease (AD) pathogenesis, wherein microglia orchestrate neuroinflammation. Kv1.3, a voltage-gated potassium channel of therapeutic relevance in autoimmunity, is upregulated by activated microglia and mediates amyloid-mediated microglial priming and reactive oxygen species production in vitro. We hypothesized that Kv1.3 channel expression is increased in human AD brain tissue. In a blinded postmortem immunohistochemical semi-quantitative analysis performed on ten AD patients and ten non-disease controls, we observed a significantly higher Kv1.3 staining intensity (p = 0.03) and Kv1.3-positive cell density (p = 0.03) in the frontal cortex of AD brains, compared to controls. This paralleled an increased number of Iba1-positive microglia in AD brains. Kv1.3-positive cells had microglial morphology and were associated with amyloid-β plaques. In immunofluorescence studies, Kv1.3 channels co-localized primarily with Iba1 but not with astrocyte marker GFAP, confirming that elevated Kv1.3 expression is limited to microglia. Higher Kv1.3 expression in AD brains was also confirmed by western blot analysis. Our findings support that Kv1.3 channels are biologically relevant and microglia-specific targets in human AD.

  11. Efficacy of 1,3-dichloropropene gelatin capsule formulation for the control of soilborne pests.

    PubMed

    Wang, Qiuxia; Song, Zhaoxin; Tang, Jueting; Yan, Dongdong; Wang, Fangyan; Zhang, Hongjun; Guo, Meixia; Cao, Aocheng

    2009-09-23

    The gelatin capsule (gel cap) formulation of 1,3-dichloropropene (1,3-D) is a new concept to reduce the environmental release, transport, and hazard potential of the use of 1,3-D to control soilborne diseases and nematodes. The objective of this study is to evaluate the biological efficacy of the 1,3-D gel cap formulation under laboratory and greenhouse trial conditions. Greenhouse experiments were carried out in suburbs of Beijing and Hebei Province of China in 2007 and 2008, focused mainly on tomato and Bellis perennis L. (daisy) crops. Results showed that 1,3-D gel cap application at a rate of 16.8 g of active ingredient m(-2) was as effective as 1,3-D liquid injection treatment. Crop yields in plots treated with 1,3-D gel cap and 1,3-D liquid were significantly higher than those in untreated control. The present study confirms that the 1,3-D gel cap formulation is a promising new formulation with good field efficacy.

  12. Chemiluminescent determination of 1,3-dibromo-5,5-dimethylhydantoin and 1,3-dichloro-5,5-dimethylhydantoin in water and in air

    SciTech Connect

    Pilipenko, A.T.; Zui, O.V.; Terletskaya, A.V.

    1986-10-10

    It was found that 1,3-dichloro-5,5-dimethylhydantoin (DCDH) and 1,3-dibromo-5,5-dimethyl-hydantoin (DBDH) react with luminol in aqueous solutions and in organic solvents giving luminous radiation. The optimal conditions for the reaction have been found. A chemiluminescent method was developed for the determination of micro-quantities of DCDH and DBDH in aqueous solutions with detection limits of 0.2 and 4 ng/ml, respectively. The method was used for the analysis of the DBDH content in water and in air in production premises.

  13. Mapping the Interaction Anatomy of BmP02 on Kv1.3 Channel

    PubMed Central

    Wu, B.; Wu, B. F.; Feng, Y. J.; Tao, J.; Ji, Y. H.

    2016-01-01

    The potassium channel Kv 1.3 plays a vital part in the activation of T lymphocytes and is an attractive pharmacological target for autoimmune diseases. BmP02, a 28-residue peptide isolated from Chinese scorpion (Buthus martensi Karsch) venom, is a potent and selective Kv1.3 channel blocker. However, the mechanism through which BmP02 recognizes and inhibits the Kv1.3 channel is still unclear. In the present study, a complex molecular model of Kv1.3-BmP02 was developed by docking analysis and molecular dynamics simulations. From these simulations, it appears the large β-turn (residues 10–16) of BmP02 might be the binding interface with Kv 1.3. These results were confirmed by scanning alanine mutagenesis of BmP02, which identified His9, Lys11 and Lys13, which lie within BmP02’s β-turn, as key residues for interacting with Kv1.3. Based on these results and molecular modeling, two negatively charged residues of Kv1.3, D421 and D422, located in turret region, were predicted to act as the binding site for BmP02. Mutation of these residues reduced sensitivity of Kv 1.3 to BmP02 inhibition, suggesting that electrostatic interactions play a crucial role in Kv1.3-BmP02 interaction. This study revealed the molecular basis of Kv 1.3 recognition by BmP02 venom, and provides a novel interaction model for Kv channel-specific blocker complex, which may help guide future drug-design for Kv1.3-related channelopathies. PMID:27403813

  14. 1,3-butadiene in urban and industrial areas and its role in photochemical processes

    NASA Astrophysics Data System (ADS)

    Czader, Beata; Rappenglück, Bernhard

    2015-04-01

    1,3-butadiene is an important pollutant in terms of public health and important driver for photochemical processes influencing ozone formation in the area of Houston. Ambient levels of 1,3-butadiene were simulated with the Community Multiscale Air Quality model (CMAQ) including the SAPRC99-extended mechanism and the results were compared to spatially and temporally resolved observations of 1,3-butadiene for an episodic period during Summer 2006. Relative contributions of different type of emissions and chemical reactions to 1,3-butadiene concentrations were examined, the highest contribution was found to be from industrial emission sources. 1,3-butadiene mixing ratios in the urban area were found to be lower than in the industrial area. Although emissions of 1,3-butadiene peak during daytime its mixing ratios are lower during daytimes as compared to nighttime. 1,3-butadiene is removed from the surface through vertical upward transport (~90%) and chemical reactions (~10%). During daytime 1,3-butadiene reacts mainly with the OH radical (90%), during nighttime this reaction pathway is still significant in the industrial area (57% of all reaction pathways). Reaction with NO3 during nighttime contributes 33% in industrial and 56% in urban areas, where high NOx emissions occur. Reaction with ozone contributes 10% and 13% in industrial and urban areas, respectively. Analysis of measured data revealed that episodically very high emissions spikes of 1,3-butadiene occur. CMAQ often underpredicts 1,3-butadiene mixing ratios when sites are exposed to sporadic releases from industrial facilities. These releases are not accounted for in the emission inventory. It also appears that emissions of 1,3-butadiene from point sources have much more variability than those listed in the emission inventory.

  15. Modeling of 1,3-butadiene in urban and industrial areas

    NASA Astrophysics Data System (ADS)

    Czader, Beata H.; Rappenglück, Bernhard

    2015-02-01

    1,3-butadiene is an important pollutant in terms of public health and important driver for photochemical processes influencing ozone formation in the area of Houston. Ambient levels of 1,3-butadiene were simulated with the Community Multiscale Air Quality model (CMAQ) including the SAPRC99-extended mechanism and the results were compared to spatially and temporally resolved observations of 1,3-butadiene for an episodic period during Summer 2006. Relative contributions of different type of emissions and chemical reactions to 1,3-butadiene concentrations were examined, the highest contribution was found to be from industrial emission sources. 1,3-butadiene mixing ratios in the urban area were found to be lower than in the industrial area. Although emissions of 1,3-butadiene peak during daytime its mixing ratios are lower during daytimes as compared to nighttime. 1,3-butadiene is removed from the surface through vertical upward transport (∼90%) and chemical reactions (∼10%). During daytime 1,3-butadiene reacts mainly with the OH radical (90%), during nighttime this reaction pathway is still significant in the industrial area (57% of all reaction pathways). Reaction with NO3 during nighttime contributes 33% in industrial and 56% in urban areas, where high NOx emissions occur. Reaction with ozone contributes 10% and 13% in industrial and urban areas, respectively. Analysis of measured data revealed that episodically very high emissions spikes of 1,3-butadiene occur. CMAQ often underpredicts 1,3-butadiene mixing ratios when sites are exposed to sporadic releases from industrial facilities. These releases are not accounted for in the emission inventory. It also appears that emissions of 1,3-butadiene from point sources have much more variability than those listed in the emission inventory.

  16. Mapping the Interaction Anatomy of BmP02 on Kv1.3 Channel

    NASA Astrophysics Data System (ADS)

    Wu, B.; Wu, B. F.; Feng, Y. J.; Tao, J.; Ji, Y. H.

    2016-07-01

    The potassium channel Kv 1.3 plays a vital part in the activation of T lymphocytes and is an attractive pharmacological target for autoimmune diseases. BmP02, a 28-residue peptide isolated from Chinese scorpion (Buthus martensi Karsch) venom, is a potent and selective Kv1.3 channel blocker. However, the mechanism through which BmP02 recognizes and inhibits the Kv1.3 channel is still unclear. In the present study, a complex molecular model of Kv1.3-BmP02 was developed by docking analysis and molecular dynamics simulations. From these simulations, it appears the large β-turn (residues 10–16) of BmP02 might be the binding interface with Kv 1.3. These results were confirmed by scanning alanine mutagenesis of BmP02, which identified His9, Lys11 and Lys13, which lie within BmP02’s β-turn, as key residues for interacting with Kv1.3. Based on these results and molecular modeling, two negatively charged residues of Kv1.3, D421 and D422, located in turret region, were predicted to act as the binding site for BmP02. Mutation of these residues reduced sensitivity of Kv 1.3 to BmP02 inhibition, suggesting that electrostatic interactions play a crucial role in Kv1.3-BmP02 interaction. This study revealed the molecular basis of Kv 1.3 recognition by BmP02 venom, and provides a novel interaction model for Kv channel-specific blocker complex, which may help guide future drug-design for Kv1.3-related channelopathies.

  17. Countering the Segregation of Transition-Metal Ions in LiMn1/3 Co1/3 Ni1/3 O2 Cathode for Ultralong Life and High-Energy Li-Ion Batteries.

    PubMed

    Luo, Dong; Fang, Shaohua; Tamiya, Yu; Yang, Li; Hirano, Shin-Ichi

    2016-08-01

    High-voltage layered lithium transition-metal oxides are very promising cathodes for high-energy Li-ion batteries. However, these materials often suffer from a fast degradation of cycling stability due to structural evolutions. It seriously impedes the large-scale application of layered lithium transition-metal oxides. In this work, an ultralong life LiMn1/3 Co1/3 Ni1/3 O2 microspherical cathode is prepared by constructing an Mn-rich surface. Its capacity retention ratio at 700 mA g(-1) is as large as 92.9% after 600 cycles. The energy dispersive X-ray maps of electrodes after numerous cycles demonstrate that the ultralong life of the as-prepared cathode is attributed to the mitigation of TM-ions segregation. Additionally, it is discovered that layered lithium transition-metal oxide cathodes with an Mn-rich surface can mitigate the segregation of TM ions and the corrosion of active materials. This study provides a new strategy to counter the segregation of TM ions in layered lithium transition-metal oxides and will help to the design and development of high-energy cathodes with ultralong life.

  18. Spectrophotometric determination of manganese with derivatives of 1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3- H-indol-2-ylidene)propenyl]-3 H-indolium.

    PubMed

    Balogh, Ioseph S; Andruch, Vasil; Kovács, Mária

    2003-10-01

    A new, simple, rapid, and sensitive spectrophotometric method has been developed for the determination of manganese in sewage. The method is based on the reaction of manganese with derivatives of 1,3,3-trimethyl-2-[3-(1,3,3-trimethyl-1,3- H-indol-2-ylidene)propenyl]-3 H-indolium to form a colored ion associate with a sensitive absorption maximum at 560 nm. The appropriate reaction conditions have been established: pH 8.5-10.0, 1.25-2.3 x 10(-3) mol L(-1) 1-nitroso-2-naphthol, and 1.6-2.4 x 10(-4) mol L(-1) dye reagent. Beer's law is obeyed for manganese concentrations up to 4.2 mg L(-1). The limit of detection is 0.01 mg L(-1) Mn(2+); the molar absorptivity of the ion associate was 7.5 x 10(4) L mol(-1) cm(-1). The effect of various foreign ions was examined. A reaction mechanism is suggested. The developed procedure was tested for determination of manganese in sewage with satisfactory precision and accuracy.

  19. Unraveling transition metal dissolution of Li1.04Ni1/3Co1/3Mn1/3O2 (NCM 111) in lithium ion full cells by using the total reflection X-ray fluorescence technique

    NASA Astrophysics Data System (ADS)

    Evertz, Marco; Horsthemke, Fabian; Kasnatscheew, Johannes; Börner, Markus; Winter, Martin; Nowak, Sascha

    2016-10-01

    In this work we investigated the transition metal dissolution of the layered cathode material Li1.04Ni1/3Co1/3Mn1/3O2 in dependence on the cycle number and cut-off cell voltage during charge by using the total reflection X-ray fluorescence technique for the elemental analysis of the specific lithium ion battery degradation products. We could show that with ongoing cycling transition metal dissolution from the cathode increased over time. However, it was less pronounced at 4.3 V compared to elevated charge cut-off voltages of 4.6 V. After a maximum of 100 cycles, we detected an overall transition metal loss of 0.2 wt‰ in relation to the whole cathode active material for cells cycled to 4.3 V. At an increased charge cut-off voltage of 4.6 V, 4.5 wt‰ transition metal loss in relation to the whole cathode active material could be detected. The corresponding transition metal dissolution induced capacity loss at the cathode could thus be attributed to 1.2 mAh g-1. Compared to the overall capacity loss of 80 mAh g-1 of the complete cell after 100 galvanostatic charge/discharge cycles the value is quite low. Hence, the overall full cell capacity fade cannot be assigned exclusively to the transition metal dissolution induced cathode fading.

  20. The impact of calendar aging on the thermal stability of a LiMn2O4-Li(Ni1/3Mn1/3Co1/3)O2/graphite lithium-ion cell

    NASA Astrophysics Data System (ADS)

    Röder, Patrick; Stiaszny, Barbara; Ziegler, Jörg C.; Baba, Nilüfer; Lagaly, Paul; Wiemhöfer, Hans-Dieter

    2014-12-01

    Aging of lithium-ion cells is an inevitable phenomenon limiting the lifetime. Undesirable side reactions during cycle or calendar aging may affect the performance of all components of the lithium-ion cell. This results in a decreased capacity and an increase in the overall cell impedance. Based on electrochemical and physical characterization methods, the aging behavior during calendar aging of a 18650-cell, containing a blend of LiMn2O4 and Li(Ni1/3Mn1/3Co1/3)O2 (NMC) as cathode material and graphite as anode material was systematically investigated. To understand how the safety behavior of a lithium-ion cell changes with aging, accelerating rate calorimetry (ARC) and differential scanning calorimetry (DSC) were applied. With these methods the thermal stability behavior of the complete lithium-ion cell and its respective cathode and anode material were investigated. The focus of this work was it to generate first cause-effect relations between the aging under one exemplary aging condition and the thermal stability of a lithium-ion battery both on cell and material level.

  1. Static and Dynamic Studies on LiNi1/3 Co1/3 Mn1/3 O2 -Based Suspensions for Semi-Solid Flow Batteries.

    PubMed

    Biendicho, Jordi Jacas; Flox, Cristina; Sanz, Laura; Morante, Joan Ramon

    2016-08-09

    LiNi1/3 Co1/3 Mn1/3 O2 (LNCM)-based suspensions for semi-solid flow batteries (SSFB) have been investigated by galvanostatic charge/discharge an electrochemical impedance spectroscopy (EIS). The resistance and electrochemical performance of half cells (vs. Li/Li(+) ) as well as the rheological properties are affected by the content of a commercially available electroconductive carbon black [KetjenBlack (KB), AkzoNobel] in the suspensions. In static conditions, a cell with 11.87 and 13.97 % by volume of KB and LNCM delivers high capacity 130 mA h g(-1) at 5 mA cm(-2) , respectively, and a coulombic efficiency of 90 % over 10 injections. The impedance of half cells is dominated by a contact resistance fitted with a resistor and a constant phase element (CPE) in parallel. In flow conditions, cell potential depends on applied current density and measured over potentials are ∼0.3 and 0.7 V for 0.33 and 1 mA cm(-2) , respectively, for a cell containing a suspension with 9.53 % in volume of KB and 13.90 % in volume of LNCM. The effect of the cell contact resistance on the electrochemical performance is discussed. ©2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  2. Ab initio studies of 1,3,5,7-tetranitro-1,3,5,7-tetrazocine/1,3-dimethyl-2-imidazolidinone cocrystal under high pressure using dispersion corrected density functional theory

    SciTech Connect

    Gu, Bang-Ming; Lin, He; Zhu, Shun-Guan

    2014-04-14

    A detailed study of structural, electronic, and thermodynamic properties of 1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)/1,3-dimethyl-2-imidazolidinone (DMI) cocrystal under the hydrostatic pressure of 0–100 GPa was performed by using dispersion-corrected density functional theory (DFT-D) method. The calculated crystal structure is in reasonable agreement with the experimental data at the ambient pressure. Based on the analysis of lattice constants, bond lengths, bond angles, and dihedral angles under compression, it is found that HMX molecules in HMX/DMI cocrystal are seriously distorted. In addition, as the pressure increases, the band gap decreases gradually, which suggests that HMX/DMI cocrystal is becoming more metallic. Some important intermolecular interactions between HMX and DMI are also observed in the density of states spectrum. Finally, its thermodynamic properties were characterized, and the results show that HMX/DMI cocrystal is more easily formed in the low pressure.

  3. 1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia.

    PubMed

    Vachal, Petr; Miao, Shouwu; Pierce, Joan M; Guiadeen, Deodial; Colandrea, Vincent J; Wyvratt, Matthew J; Salowe, Scott P; Sonatore, Lisa M; Milligan, James A; Hajdu, Richard; Gollapudi, Anantha; Keohane, Carol A; Lingham, Russell B; Mandala, Suzanne M; DeMartino, Julie A; Tong, Xinchun; Wolff, Michael; Steinhuebel, Dietrich; Kieczykowski, Gerard R; Fleitz, Fred J; Chapman, Kevin; Athanasopoulos, John; Adam, Gregory; Akyuz, Can D; Jena, Dhirendra K; Lusen, Jeffrey W; Meng, Juncai; Stein, Benjamin D; Xia, Lei; Sherer, Edward C; Hale, Jeffrey J

    2012-04-12

    The discovery of 1,3,8-triazaspiro[4.5]decane-2,4-diones (spirohydantoins) as a structural class of pan-inhibitors of the prolyl hydroxylase (PHD) family of enzymes for the treatment of anemia is described. The initial hit class, spirooxindoles, was identified through affinity selection mass spectrometry (AS-MS) and optimized for PHD2 inhibition and optimal PK/PD profile (short-acting PHDi inhibitors). 1,3,8-Triazaspiro[4.5]decane-2,4-diones (spirohydantoins) were optimized as an advanced lead class derived from the original spiroindole hit. A new set of general conditions for C-N coupling, developed using a high-throughput experimentation (HTE) technique, enabled a full SAR analysis of the spirohydantoins. This rapid and directed SAR exploration has resulted in the first reported examples of hydantoin derivatives with good PK in preclinical species. Potassium channel off-target activity (hERG) was successfully eliminated through the systematic introduction of acidic functionality to the molecular structure. Undesired upregulation of alanine aminotransferese (ALT) liver enzymes was mitigated and a robust on-/off-target margin was achieved. Spirohydantoins represent a class of highly efficacious, short-acting PHD1-3 inhibitors causing a robust erythropoietin (EPO) upregulation in vivo in multiple preclinical species. This profile deems spirohydantoins as attractive short-acting PHDi inhibitors with the potential for treatment of anemia.

  4. Solvent-free dry powder coating process for low-cost manufacturing of LiNi1/3Mn1/3Co1/3O2 cathodes in lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Al-Shroofy, Mohanad; Zhang, Qinglin; Xu, Jiagang; Chen, Tao; Kaur, Aman Preet; Cheng, Yang-Tse

    2017-06-01

    We report a solvent-free dry powder coating process for making LiNi1/3Mn1/3Co1/3O2 (NMC) positive electrodes in lithium-ion batteries. This process eliminates volatile organic compound emission and reduces thermal curing time from hours to minutes. A mixture of NMC, carbon black, and poly(vinylidene difluoride) was electrostatically sprayed onto an aluminum current collector, forming a uniformly distributed electrode with controllable thickness and porosity. Charge/discharge cycling of the dry-powder-coated electrodes in lithium-ion half cells yielded a discharge specific capacity of 155 mAh g-1 and capacity retention of 80% for more than 300 cycles when the electrodes were tested between 3.0 and 4.3 V at a rate of C/5. The long-term cycling performance and durability of dry-powder coated electrodes are similar to those made by the conventional wet slurry-based method. This solvent-free dry powder coating process is a potentially lower-cost, higher-throughput, and more environmentally friendly manufacturing process compared with the conventional wet slurry-based electrode manufacturing method.

  5. Hydrogen peroxide assisted synthesis of LiNi1/3Co1/3Mn1/3O2 as high-performance cathode for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Lin, Chaohong; Zhang, Yongzhi; Chen, Li; Lei, Ying; Ou, Junke; Guo, Yong; Yuan, Hongyan; Xiao, Dan

    2015-04-01

    LiNi1/3Co1/3Mn1/3O2 (NCM) is a promising cathode material for lithium-ion battery. In this research, a facile co-precipitation process is employed, during which the mixed solution of NH3·H2O, H2O2 (30% aqueous solution) and LiOH·H2O is added into the nitrate solution. Notably, H2O2 is introduced as the oxidant and dispersant during the co-precipitation process to oxidize the metal ions and decrease the agglomeration of the precursor by giving out O2, and then improves the specific capacity, stability and energy density of NCM. Additionally, O3 is employed to further oxidize NCM to enhance the stability during the calcination process. The obtained NCM material with single crystal structure exhibits a high initial discharge specific capacity of 208.9 mAh g-1 at 0.1 C (1 C = 280 mA g-1), an excellent cycle stability with high retained capacity of 176.3 mAh g-1 after 50 cycles, and a high initial discharge specific capacities of 150.6 mAh g-1 at 5 C even at a high cutoff potential (4.6 V).

  6. First-cycle defect evolution of Li1-xNi1/3Mn1/3Co1/3O2 lithium ion battery electrodes investigated by positron annihilation spectroscopy

    NASA Astrophysics Data System (ADS)

    Seidlmayer, Stefan; Buchberger, Irmgard; Reiner, Markus; Gigl, Thomas; Gilles, Ralph; Gasteiger, Hubert A.; Hugenschmidt, Christoph

    2016-12-01

    In this study the structure and evolution of vacancy type defects in lithium ion batteries are investigated in respect of crystallographic properties. The relation between positron annihilation and electronic structure is discussed in terms of structural dynamics during the lithiation process. Samples of Li1-xNi1/3Mn1/3Co1/3O2 (NMC-111) electrodes with decreasing lithium content (x = 0-0.7) covering the whole range of state of charge were electrochemically prepared for the non-destructive analysis using positron coincidence Doppler broadening spectroscopy (CDBS). The positron measurements allowed us to observe the evolution of the defect structure caused by the delithiation process in the NMC-111 electrodes. The combination of CDBS with X-ray diffraction for the characterization of the lattice structures enabled the analysis of the well-known kinetic-hindrance-effect in the first charge-discharge cycle and possible implications of vacancy ordering. In particular, CDBS revealed the highest degree of relithiation after discharge to 3.0 V at 55 °C. For the first time, we report on the successful application of CDBS on NMC-111 electrodes yielding new insights in the important role of defects caused by the delithiation process and the kinetic hindrance effect.

  7. Beta-1,3-glucan1,3-glucan, a druggable target, forms a trabecular scaffold in the oocyst walls of Toxoplasma and Eimeria

    USDA-ARS?s Scientific Manuscript database

    Toxoplasma gondii is a human pathogen that spreads by ingestion of oocysts in cat feces or tissue cysts in raw meat. Eimeria species are major pathogens of livestock that also spread by infectious oocysts. Beta-1,3-glucan, a major component of fungal and plant walls, is the target of anti-fungal dr...

  8. Influence of medium acidity upon the luminescence properties of 2,5-diphenyl-1,3,4-oxadiazole and 2,5-diphenyl-1,3-oxazole

    NASA Astrophysics Data System (ADS)

    Trifonov, Rostislav E.; Rtishchev, Nikolai I.; Ostrovskii, Vladimir A.

    1996-12-01

    The luminescence properties of 2,5-diphenyl-1,3,4-oxadiazole and 2,5-diphenyl-1,3-oxazole in aqueous solutions of sulfuric acid (pH 7 to Ho - 10) were studied. The spectral parameters are essentially acidity dependent, which is due to the acid-base equilibria of these heterocycles both in the ground and in the first excited singlet states. The difference between these two compounds is governed by their dissimilar solvation. The basicity constants of 2,5-diphenyl-1,3,4-oxadiazole in the S0 state (p KBH+ = - 2.49) and 2,5-diphenyl-1,3-oxazole in the S0 and S1 states ( pK BH+ = -1.93, pK BH+∗ = 1.95) were experimentally obtained. The enthalpies of formation, electron charge density, and geometry of the bases and corresponding conjugate acids in the S0 and S1 states were calculated by the MNDO method.

  9. Non-Planar Structures of the High-Energy Rotational Conformers of 2-METHYLBUTA-1,3-DIENE (isoprene) and 2,3-DIMETHYLBUTA-1,3-DIENE

    NASA Astrophysics Data System (ADS)

    Panchenko, Yu. N.; Bock, Ch. W.; Larkin, J. D.; Abramenkov, A. V.; Kühnemann, F.

    2009-06-01

    Optimization of the geometrical parameters and determination of the force fields for rotamers of the title molecules were performed at the MP2(FC)/aug-cc-pVDZ//MP2(FC)/aug-cc-pVDZ computational level. The vibrational analyses of these conformers were carried out using scaled quantum-mechanical force field methodology. Recent experimental wavenumbers for these conformers and their deuteroisomers were incorporated into these analyses. The theoretical non-planar structures of the high-energy conformers of 2-methylbuta-1,3-diene (isoprene) and 2,3-dimethylbuta-1,3-diene were corroborated by good agreement between the experimental and theoretical wavenumbers of the molecules under investigation. The dihedral angles of the non-planar high-energy conformers for rotation around the =C-C= bond are as follows: 41.6^° for 2-methylbuta-1,3-diene (isoprene) and 47.0^° for 2,3-dimethylbuta-1,3-diene. Previous studies performed at the HF/6-31G level gave 41.0^° and 48.5^° for the first and second compounds, respectively. Yu. N. Panchenko, Ch. W. Bock, J. D. Larkin, A. V. Abramenkov, F. Kühnemann, Struct. Chem. 19, 421 (2008). Yu. N. Panchenko, Ch. W. Bock, J. D. Larkin, A. V. Abramenkov, Struct. Chem. 19, 793 (2008)

  10. Substituent effects on singlet-triplet gaps and mechanisms of 1,2-rearrangements of 1,3-oxazol-2-ylidenes to 1,3-oxazoles.

    PubMed

    Freeman, Fillmore; Lau, Desirae J; Patel, Atitkumar R; Pavia, Paulo R; Willey, Justin D

    2008-09-18

    Electronic structures, partial atomic charges, singlet-triplet gaps (Delta E ST), substituent effects, and mechanisms of 1,2-rearrangements of 1,3-oxazol-2-ylidene ( 5) and 4,5-dimethyl- ( 6), 4,5-difluoro- ( 7), 4,5-dichloro- ( 8), 4,5-dibromo- ( 9), and 3-methyl-1,3-oxazol-2-ylidene ( 10) to the corresponding 1,3-oxazoles have been studied using complete-basis-set methods (CBS-QB3, CBS-Q, CBS-4M), second-order Møller-Plesset perturbation method (MP2), hybrid density functionals (B3LYP, B3PW91), coupled-cluster theory with single and double excitations (CCSD) and CCSD plus perturbative triple excitations [CCSD(T)], and the quadratic configuration interaction method including single and double excitations (QCISD) and QCISD plus perturbative triple excitations [QCISD(T)]. The 6-311G(d,p), 6-31+G(d,p), 6-311+G(d,p), and correlation-consistent polarized valence double-xi (cc-pVDZ) basis sets were employed. The carbenes have singlet ground states, and the CBS-QB3 and CBS-Q methods predict Delta E ST values for 5- 8 and 10 of 79.9, 79.8, 74.7, 77.0, and 82.0 kcal/mol, respectively. CCSD(T), QCISD(T), B3LYP, and B3PW91 predict smaller Delta E ST values than CBS-QB3 and CBS-Q, with the hybrid density functionals predicting the smallest values. The concerted unimolecular exothermic out-of-plane 1,2-rearrangements of singlet 1,3-oxazol-2-ylidenes to their respective 1,3-oxazoles proceed via cyclic three-center transition states. The CBS-predicted barriers to the 1,2-rearrangements of singlet carbenes 5- 9 to their respective 1,3-oxazoles are 41.4, 40.4, 37.8, 40.4, and 40.5 kcal/mol, respectively. During the 1,2-rearrangements of singlet 1,3-oxazol-2-ylidenes 5- 9, there is a decrease in electron density at oxygen, N3 (the migration origin), and C5 and an increase in electron density at C2 (the migration terminus), C4, and the partially positive migrating hydrogen.

  11. 40 CFR 721.10260 - Benzene, 1,3-bis(1-chloro-1-methylethyl)-.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 32 2013-07-01 2013-07-01 false Benzene, 1,3-bis(1-chloro-1... Specific Chemical Substances § 721.10260 Benzene, 1,3-bis(1-chloro-1-methylethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene,...

  12. 40 CFR 721.10260 - Benzene, 1,3-bis(1-chloro-1-methylethyl)-.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 31 2014-07-01 2014-07-01 false Benzene, 1,3-bis(1-chloro-1... Specific Chemical Substances § 721.10260 Benzene, 1,3-bis(1-chloro-1-methylethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene,...

  13. 40 CFR 721.10260 - Benzene, 1,3-bis(1-chloro-1-methylethyl)-.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 32 2012-07-01 2012-07-01 false Benzene, 1,3-bis(1-chloro-1... Specific Chemical Substances § 721.10260 Benzene, 1,3-bis(1-chloro-1-methylethyl)-. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as benzene,...

  14. Surface application of biochar to reduce emissions of 1,3-dichloropropene

    USDA-ARS?s Scientific Manuscript database

    Soil fumigation with 1,3-dichloropropene (1,3-D) is restricted by township caps and buffer zone requirements because of high emission rates. Many studies have investigated emission reduction techniques using plastic films of different permeability. Biochar is a fine-grained, highly porous charcoal s...

  15. Environmentally-friendly strategy for separation of 1,3-propanediol using biocatalytic conversion.

    PubMed

    Cui, Caixia; Zhang, Zhe; Chen, Biqiang

    2017-09-09

    Glycerol waste from the biodiesel production can be used as a carbon source in the production of 1,3-propanediol (1,3-PD) through microbial fermentation. However, downstream processing is a major bottleneck that restricts its biological production. Here, we investigated an environmentally-friendly method to enzymatically separate 1,3-PD. The transformation of 1,3-PD to an ester was achieved by exploiting the esterification reaction with fatty acids under lipase catalysis. The reaction efficiency was optimized using different poly-alcohols that were existed in the fermentation broth reacted with a fatty acid. Whereas the 1,3-PD conversion reached 62%, only a 0.06% and 0.08% conversion was reached for 2,3-butanediol and glycerol, illustrating the former's more efficient separation. The recovery efficiency of 1,3-PD was 96%. Finally, 1,3-PD was obtained by lipase-directed ester hydrolysis. Taken together, the bio-catalyzed separation process presented here is a novel and promising method for recovering 1,3-PD. Copyright © 2017. Published by Elsevier Ltd.

  16. 75 FR 31713 - 2-Propenoic acid polymer, with 1,3-butadiene and ethenylbenzene; Tolerance Exemption

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-04

    ... AGENCY 40 CFR Part 180 2-Propenoic acid polymer, with 1,3-butadiene and ethenylbenzene; Tolerance... establishes an exemption from the requirement of a tolerance for residues of 2-propenoic acid polymer, with 1... a maximum permissible level for residues of 2-propenoic acid polymer, with 1,3-butadiene and...

  17. Effects of organic amendment on degradation of 1,3-dichloropropene and chloropicrin in soil

    USDA-ARS?s Scientific Manuscript database

    Soil fumigants 1,3-dichloropropene (1,3-D) and chloropicrin (CP), are promising alternatives to the phased-out methyl bromide. However, these fumigants are volatile organic compounds and contribute to air pollution from emissions. Organic amendment to soils has been found to reduce emissions by incr...

  18. 7 CFR Appendices 1-3 to Subpart - Dairy Tariff-Rate Import Quota Licensing

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 1 2012-01-01 2012-01-01 false Dairy Tariff-Rate Import Quota Licensing 1 Appendices 1-3 to Subpart Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES Dairy...-3 Appendices 1-3 to Subpart—Dairy Tariff-Rate Import Quota Licensing Articles Subject to: Appendix...

  19. 7 CFR Appendices 1-3 to Subpart - Dairy Tariff-Rate Import Quota Licensing

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 1 2014-01-01 2014-01-01 false Dairy Tariff-Rate Import Quota Licensing 1 Appendices 1-3 to Subpart Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES Dairy...-3 Appendices 1-3 to Subpart—Dairy Tariff-Rate Import Quota Licensing Articles Subject To: Appendix...

  20. 7 CFR Appendices 1-3 to Subpart - Dairy Tariff-Rate Import Quota Licensing

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 1 2013-01-01 2013-01-01 false Dairy Tariff-Rate Import Quota Licensing 1 Appendices 1-3 to Subpart Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES Dairy...-3 Appendices 1-3 to Subpart—Dairy Tariff-Rate Import Quota Licensing Articles Subject to: Appendix...

  1. 7 CFR Appendices 1-3 to Subpart - Dairy Tariff-Rate Import Quota Licensing

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 1 2011-01-01 2011-01-01 false Dairy Tariff-Rate Import Quota Licensing 1 Appendices 1-3 to Subpart Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES Dairy...-3 Appendices 1-3 to Subpart—Dairy Tariff-Rate Import Quota Licensing Articles Subject to: Appendix...

  2. Free-radical reactions of 2-ethoxy-1,3-oxathiolane

    SciTech Connect

    Taganliev, A.; Pastushenko, E.V.; Rakhmankulov, D.L.; Rol'nik, L.Z.; Zlotskii, S.S.

    1986-01-01

    Homolytic reactions of 2-ethoxy-1,3-oxathiolane in the presence of benzoyl peroxide and tert-butyl peroxide in chlorobenzene have been studied. The principal reaction products are diethyl monothiocarbonate and 1,3-oxathiolane-2-one. The yields and ratios of the products are temperature-dependent.

  3. In vitro and in vivo genotoxicity of 1,3-butadiene and metabolites.

    PubMed Central

    Arce, G T; Vincent, D R; Cunningham, M J; Choy, W N; Sarrif, A M

    1990-01-01

    1,3-Butadiene and two major genotoxic metabolites 3,4-epoxybutene (EB) and 1,2:3,4-diepoxybutane (DEB) were used as model compounds to determine if genetic toxicity findings in animal and human cells can aid in extrapolating animal toxicity data to man. Sister chromatid exchange (SCE) and micronucleus induction results indicated 1,3-butadiene was genotoxic in the bone marrow of the mouse but not the rat. This paralleled the chronic bioassays which showed mice to be more susceptible than rats to 1,3-butadiene carcinogenicity. However, 1,3-butadiene did not induce unscheduled DNA synthesis (UDS) in the rat or mouse hepatocytes following in vivo exposure. Likewise, UDS in rat and mouse hepatocytes in vitro was not induced by EB or DEB. Salmonella typhimurium gene mutation (Ames) tests of 1,3-butadiene using strains TA1535, TA97, TA98, and TA100 and employing rat, mouse, and human liver S9 metabolic systems were barely 2-fold above background only in strain TA1535 at 30% 1,3-butadiene in air with induced and uninduced rat S9 and mouse S9 (uninduced). 1,3-Butadiene was negative in in vitro SCE studies in human whole blood lymphocytes cultures treated in the presence of rat, mouse, or human liver S9 metabolic activation. In general, 1,3-butadiene is genotoxic in vivo but is a weak in vitro genotoxin. PMID:2205494

  4. Role of triggering receptor expressed on myeloid cells-1/3 in Klebsiella-derived pneumosepsis.

    PubMed

    Hommes, Tijmen J; Dessing, Mark C; Veer, Cornelis van 't; Florquin, Sandrine; Colonna, Marco; de Vos, Alex F; van der Poll, Tom

    2015-11-01

    Triggering receptor expressed on myeloid cells (TREM)-1 and -2 can affect Toll-like receptor-mediated activation of immune cells. Klebsiella pneumoniae is a common cause of pneumonia-derived sepsis. Here we studied the role of TREM-1/3 and TREM-2 in the host response during Klebsiella pneumonia. Macrophages lacking either TREM-1/3 or TREM-2 were tested for their responsiveness toward K. pneumoniae and for their capacity to internalize this pathogen in vitro. TREM-1/3- and TREM-2-deficient mice were infected with K. pneumoniae via the airways, and their responses were compared with those in wild-type mice. TREM-1/3-deficient macrophages produced lower cytokine levels upon exposure to K. pneumoniae, whereas TREM-2-deficient macrophages released higher cytokine concentrations. TREM-2-deficient, but not TREM-1/3-deficient, macrophages showed a reduced capacity to phagocytose K. pneumoniae. TREM-1/3-deficient mice showed an impaired host defense during Klebsiella pneumonia, as reflected by worsened survival and increased bacterial growth and dissemination. In contrast, TREM-2 deficiency did not affect disease outcome. Although TREM-1/3 and TREM-2 influence macrophage responsiveness to K. pneumoniae in vitro, only TREM-1/3 contribute to the host response during Klebsiella pneumonia in vivo, serving a protective role.

  5. 7 CFR 301.1-3 - Action on special need requests.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 5 2010-01-01 2010-01-01 false Action on special need requests. 301.1-3 Section 301.1... INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE DOMESTIC QUARANTINE NOTICES Preemption and Special Need Requests § 301.1-3 Action on special need requests. (a) Upon receipt of a complete special need...

  6. The beneficial effect of blocking Kv1.3 in the psoriasiform SCID mouse model.

    PubMed

    Gilhar, Amos; Bergman, Reuven; Assay, Bedia; Ullmann, Yehuda; Etzioni, Amos

    2011-01-01

    The Kv1.3 channel is important in the activation and function of effector memory T cells. Recently, specific blockers of the Kv1.3 channel have been developed as a potential therapeutic option for diverse autoimmune diseases. In psoriatic lesions, most lymphocytes are memory effector T cells. The aim of the present study was to detect the expression of Kv1.3 channels in these cells in psoriatic lesions as well as in human psoriasiform skin grafts using the severe combined immunodeficient (SCID) mouse model. Histological and immunohistochemical staining for Kv1.3 expression and various inflammatory markers was performed in sections obtained from six psoriatic patients and 18 beige-SCID mice with psoriasiform human skin grafts. Six grafted mice were treated with Stichodactyla helianthus neurotoxin (ShK), a known Kv1.3 blocker. The results showed an increased number of Kv1.3+ cells in the psoriatic skin as well as in the psoriasiform skin grafts as compared with normal skin and normal skin grafts. Injections of ShK showed a marked therapeutic effect in three of six psoriasiform skin grafts. A significantly decreased number of Kv1.3+ cells was observed in the responders compared with the control grafts. This pilot study, although performed in a small number of mice, reveals the possible beneficial effect of Kv1.3 blockers in psoriasis patients.

  7. Chiral 1,3,2-oxazaborolidines in asymmetric synthesis: recent advances

    NASA Astrophysics Data System (ADS)

    Glushkov, Vladimir A.; Tolstikov, Alexander G.

    2004-06-01

    The use of chiral 1,3,2-oxazaborolidines in asymmetric organic synthesis, particularly, in enantioselective reduction of ketones, imines and oxime ethers, asymmetric Diels-Alder reactions, aldol condensation and atroposelective reduction of lactones is reviewed. Reactions of immobilised 1,3,2-oxazaborolidines are also considered.

  8. Nerve injury induces robust allodynia and ectopic discharges in Nav1.3 null mutant mice

    PubMed Central

    Nassar, Mohammed A; Baker, Mark D; Levato, Alessandra; Ingram, Rachel; Mallucci, Giovanna; McMahon, Stephen B; Wood, John N

    2006-01-01

    Changes in sodium channel activity and neuronal hyperexcitability contribute to neuropathic pain, a major clinical problem. There is strong evidence that the re-expression of the embryonic voltage-gated sodium channel subunit Nav1.3 underlies neuronal hyperexcitability and neuropathic pain. Here we show that acute and inflammatory pain behaviour is unchanged in global Nav1.3 mutant mice. Surprisingly, neuropathic pain also developed normally in the Nav1.3 mutant mouse. To rule out any genetic compensation mechanisms that may have masked the phenotype, we investigated neuropathic pain in two conditional Nav1.3 mutant mouse lines. We used Nav1.8-Cre mice to delete Nav1.3 in nociceptors at E14 and NFH-Cre mice to delete Nav1.3 throughout the nervous system postnatally. Again normal levels of neuropathic pain developed after nerve injury in both lines. Furthermore, ectopic discharges from damaged nerves were unaffected by the absence of Nav1.3 in global knock-out mice. Our data demonstrate that Nav1.3 is neither necessary nor sufficient for the development of nerve-injury related pain. PMID:17052333

  9. 15 CFR Supplement Nos.1-3 to Part 746 - [Reserved

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Nos.1 Supplement Nos.1-3 to Part 746 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign Trade (Continued) BUREAU OF... CONTROLS Supplement Nos.1-3 to Part 746 ...

  10. 15 CFR Supplement Nos.1-3 to Part 746 - [Reserved

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 15 Commerce and Foreign Trade 2 2011-01-01 2011-01-01 false Nos.1 Supplement Nos.1-3 to Part 746 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign Trade (Continued) BUREAU OF... CONTROLS Supplement Nos.1-3 to Part 746 ...

  11. 7 CFR 301.1-3 - Action on special need requests.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 5 2011-01-01 2011-01-01 false Action on special need requests. 301.1-3 Section 301.1... INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE DOMESTIC QUARANTINE NOTICES Preemption and Special Need Requests § 301.1-3 Action on special need requests. (a) Upon receipt of a complete special need request...

  12. 7 CFR 301.1-3 - Action on special need requests.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 5 2013-01-01 2013-01-01 false Action on special need requests. 301.1-3 Section 301.1... INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE DOMESTIC QUARANTINE NOTICES Preemption and Special Need Requests § 301.1-3 Action on special need requests. (a) Upon receipt of a complete special need request...

  13. 7 CFR 301.1-3 - Action on special need requests.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 5 2014-01-01 2014-01-01 false Action on special need requests. 301.1-3 Section 301.1... INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE DOMESTIC QUARANTINE NOTICES Preemption and Special Need Requests § 301.1-3 Action on special need requests. (a) Upon receipt of a complete special need request...

  14. 7 CFR 301.1-3 - Action on special need requests.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 5 2012-01-01 2012-01-01 false Action on special need requests. 301.1-3 Section 301.1... INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE DOMESTIC QUARANTINE NOTICES Preemption and Special Need Requests § 301.1-3 Action on special need requests. (a) Upon receipt of a complete special need request...

  15. 11 CFR 1.3 - Procedures for requests pertaining to individual records in a record system.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... individual records in a record system. 1.3 Section 1.3 Federal Elections FEDERAL ELECTION COMMISSION PRIVACY... location and to the person specified in the notice describing that record system. (b) An individual who... record system contains those records, may request assistance by mail or in person from the Chief...

  16. 11 CFR 1.3 - Procedures for requests pertaining to individual records in a record system.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... individual records in a record system. 1.3 Section 1.3 Federal Elections FEDERAL ELECTION COMMISSION PRIVACY... location and to the person specified in the notice describing that record system. (b) An individual who... record system contains those records, may request assistance by mail or in person from the Chief...

  17. [Progress in down-stream processing of biologically produced 1,3-propanediol].

    PubMed

    Wu, Ruchun; Xu, Yunzhen; Liu, Dehua

    2011-03-01

    1,3-propanediol is an important raw material in chemical industry. Microbial conversion of glycerol or glucose into 1,3-propanediol has been given much attention due to its renewable resource, mild reaction conditions, and other advantages. It is a challenge to efficiently separate 1,3-propanediol from a mixture of multiple components, such as 1,3-propanediol, 2,3-butanediol, water, residual glycerol, ethanol, macromolecules and salts, for the reason that 1,3-propanediol, glycerol and 2,3-butanediol are all very hydrophilic and have intense polarity. The conventional evaporation and distillation techniques used in the purification of 1,3-propanediol suffer from the problem of high energy consumption and low recovery. It makes the recovery of 1,3-propanediol from a fermentation broth become a bottleneck in industrial production. The down-stream processing of biologically produced 1,3-propanediol mainly includes the removal of protein, salts, water and other impurities. This paper analyze the research progress of these separation technologies and point out the developing direction worth further investigation.

  18. Computational methods to calculate accurate activation and reaction energies of 1,3-dipolar cycloadditions of 24 1,3-dipoles.

    PubMed

    Lan, Yu; Zou, Lufeng; Cao, Yang; Houk, K N

    2011-12-01

    Theoretical calculations were performed on the 1,3-dipolar cycloaddition reactions of 24 1,3-dipoles with ethylene and acetylene. The 24 1,3-dipoles are of the formula X≡Y(+)-Z(-) (where X is HC or N, Y is N, and Z is CH(2), NH, or O) or X═Y(+)-Z(-) (where X and Z are CH(2), NH, or O and Y is NH, O, or S). The high-accuracy G3B3 method was employed as the reference. CBS-QB3, CCSD(T)//B3LYP, SCS-MP2//B3LYP, B3LYP, M06-2X, and B97-D methods were benchmarked to assess their accuracies and to determine an accurate method that is practical for large systems. Several basis sets were also evaluated. Compared to the G3B3 method, CBS-QB3 and CCSD(T)/maug-cc-pV(T+d)Z//B3LYP methods give similar results for both activation and reaction enthalpies (mean average deviation, MAD, < 1.5 kcal/mol). SCS-MP2//B3LYP and M06-2X give small errors for the activation enthalpies (MAD < 1.5 kcal/mol), while B3LYP has MAD = 2.3 kcal/mol. SCS-MP2//B3LYP and B3LYP give the reasonable reaction enthalpies (MAD < 5.0 kcal/mol). The B3LYP functional also gives good results for most 1,3-dipoles (MAD = 1.9 kcal/mol for 17 common 1,3-dipoles), but the activation and reaction enthalpies for ozone and sulfur dioxide are difficult to calculate by any of the density functional methods.

  19. Biodegradation of the Hexahydro-1,3,5-Trinitro-1,3,5-Triazine Ring Cleavage Product 4-Nitro-2,4-Diazabutanal by Phanerochaete chrysosporium

    PubMed Central

    Fournier, Diane; Halasz, Annamaria; Spain, Jim; Spanggord, Ronald J.; Bottaro, Jeffrey C.; Hawari, Jalal

    2004-01-01

    Initial denitration of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by Rhodococcus sp. strain DN22 produces CO2 and the dead-end product 4-nitro-2,4-diazabutanal (NDAB), OHCNHCH2NHNO2, in high yield. Here we describe experiments to determine the biodegradability of NDAB in liquid culture and soils containing Phanerochaete chrysosporium. A soil sample taken from an ammunition plant contained RDX (342 μmol kg−1), HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine; 3,057 μmol kg−1), MNX (hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine; 155 μmol kg−1), and traces of NDAB (3.8 μmol kg−1). The detection of the last in real soil provided the first experimental evidence for the occurrence of natural attenuation that involved ring cleavage of RDX. When we incubated the soil with strain DN22, both RDX and MNX (but not HMX) degraded and produced NDAB (388 ± 22 μmol kg−1) in 5 days. Subsequent incubation of the soil with the fungus led to the removal of NDAB, with the liberation of nitrous oxide (N2O). In cultures with the fungus alone NDAB degraded to give a stoichiometric amount of N2O. To determine C stoichiometry, we first generated [14C]NDAB in situ by incubating [14C]RDX with strain DN22, followed by incubation with the fungus. The production of 14CO2 increased from 30 (DN22 only) to 76% (fungus). Experiments with pure enzymes revealed that manganese-dependent peroxidase rather than lignin peroxidase was responsible for NDAB degradation. The detection of NDAB in contaminated soil and its effective mineralization by the fungus P. chrysosporium may constitute the basis for the development of bioremediation technologies. PMID:14766596

  20. Kv1.3 in Psoriatic Disease: PAP-1, a small molecule inhibitor of Kv1.3 is effective in the SCID mouse psoriasis - xenograft model

    PubMed Central

    Kundu-Raychaudhuri, Smriti; Chen, Yi-Je; Wulff, Heike; Raychaudhuri, Siba P

    2015-01-01

    Kv1.3 channels regulate the activation/proliferation of effector memory T cells and thus play a critical role in the pathogenesis of autoimmune diseases. Using a combination of immunohistochemistry, confocal microscopy, flow cytometry and electrophysiology methods we observed a significant enrichment of activated Kv1.3+ memory T cells in psoriasis plaques and synovial fluid from patients with psoriasis/psoriatic arthritis (PsA) compared to non-lesional psoriatic skin, normal skin or peripheral blood lympho-mononuclear cells. In in vitro studies performed with lesional mononuclear cells or T cells derived from skin and joints of psoriatic disease, the small molecule Kv1.3 blocker PAP-1 dose-dependently inhibited proliferation and suppressed IL-2 and IFN-γ production. To further substantiate the pathologic role of Kv1.3highTEM cells in psoriatic disease we tested whether PAP-1 is able to improve psoriatic disease pathology in the SCID mouse-psoriasis skin xenograft model. Following four weeks of daily treatment with 2% PAP-1 ointment we noticed about 50% reduction in the epidermal thickness (rete peg length) and the number of CD3+ lymphocytes/mm2 of dermis decreased by 85%. Vehicle treated and untreated plaques in contrast remained unchanged and showed no reduction in epidermis thickness and infiltrating CD3+ T cells and HLA-DR+ T cells. Based on these results we propose the development of Kv1.3 targeted topical immunotherapy for psoriasis and possibly for other inflammatory skin conditions, where effector memory T cells are involved in the pathogenesis. PMID:25175978

  1. Synthesis and structures of photoactive manganese-carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole.

    PubMed

    Stenger-Smith, Jenny; Chakraborty, Indranil; Carrington, Samantha; Mascharak, Pradip

    2017-04-01

    PhotoCORMs (photo-active CO-releasing molecules) have emerged as a class of CO donors where the CO release process can be triggered upon illumination with light of appropriate wavelength. We have recently reported an Mn-based photoCORM, namely [MnBr(pbt)(CO)3] [pbt is 2-(pyridin-2-yl)-1,3-benzothiazole], where the CO release event can be tracked within cellular milieu by virtue of the emergence of strong blue fluorescence. In pursuit of developing more such trackable photoCORMs, we report herein the syntheses and structural characterization of two Mn(I)-carbonyl complexes, namely fac-tricarbonylchlorido[2-(pyridin-2-yl)-1,3-benzothiazole-κ(2)N,N']manganese(I), [MnCl(C12H8N2S)(CO)3], (1), and fac-tricarbonylchlorido[2-(quinolin-2-yl)-1,3-benzothiazole-κ(2)N,N']manganese(I), [MnCl(C16H10N2S)(CO)3], (2). In both complexes, the Mn(I) center resides in a distorted octahedral coordination environment. Weak intermolecular C-H...Cl contacts in complex (1) and Cl...S contacts in complex (2) consolidate their extended structures. These complexes also exhibit CO release upon exposure to low-power broadband visible light. The apparent CO release rates for the two complexes have been measured to compare their CO donating capacity. The fluorogenic 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole ligands provide a convenient way to track the CO release event through the `turn-ON' fluorescence which results upon de-ligation of the ligands from their respective metal centers following CO photorelease.

  2. Europium luminescence in its complexes with 2-acetyl- and 2-benzoyl-1,3-indanediones

    SciTech Connect

    Vitkun, R.A.; Gerasimenko, T.M.; Ul'yanova, M.A.; Tishchenko, M.A.; Polyektov, N.S.

    1982-04-01

    We have previously studied the capacity of lanthanide ions to form complexes with the cyclic ..beta..-diketone, 2-acetyl-1,3-indanedione (AID). The complexation was studied spectrophotometrically for neodymium and erbium ions relative to change in the absorption bands corresponding to hyperfine transitions. The pH-potentiometric method was used to find the stability constants of the lanthanides with AID. The IR spectra of the coordination compounds of several lanthanides with 2-acetyl-1,3-indanedione and the thermal stability of these compounds were examined in our previous work. We found that the complexes of 2-acetyl-1,3-indanedione and 2-benzoyl-1,3-indanedione (BID) display strong luminescence upon their irradiation with ultraviolet light. The analogous compounds of samarium, terbium, and dysprosium have only weak luminescence. We carried out a luminescence study of the complexation of europium with 2-acetyl- and 2-benzoyl-1,3-indanedione.

  3. 1,3,4-Thiadiazole-based diamides: Synthesis and complexation properties

    NASA Astrophysics Data System (ADS)

    Łukasik, Natalia; Luboch, Elżbieta; Chojnacki, Jarosław; Wagner-Wysiecka, Ewa

    2017-10-01

    Aromatic diamides, derivative of 2,6-pyridinedicarboxylic acid and isophthalic acid, bearing 1,3,4-thiadiazole residue were prepared with satisfactory yields in conventional procedures and microwave stimulated reactions. X-ray structure of N,N‧-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide (2) DMSO solvate (2·DMSO) was described. Selective zinc(II), lanthanum(III), terbium(III) and L-tyrosine recognition was found for N,N‧-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide in DMSO and its mixture with water. The IDA (Indicator Displacement Assay) system for metal cations sensing was proposed. The binding properties of 2 were compared with newly synthesized N,N‧-bis(1,3,4-thiadiazol-2-yl)-1,3-benzenedicarboxamide 1.

  4. Researching on resonance characteristics influenced by the structure parameters of 1-3-2 piezocomposites plate.

    PubMed

    Li, Li; Qin, Lei; Wang, Li-Kun; Wan, Yuan-Yuan; Sun, Bai-Sheng

    2008-05-01

    The 1-3-2 composite is made of 1-3 composite and ceramic base. Its effective properties are calculated based on the linear piezoelectric theory and uniform field theory. The influence of piezoelectric phase volume fraction and composite aspect (thickness/width) on resonance characteristic of square 1-3-2 piezoelectric composite plate has been researched. In addition, some 1-3-2 composite samples were fabricated by dice-fill technology. The resonance frequency of samples was investigated. The results show that the experiment agrees well with the calculation. The pure thickness resonance mode of 1-3-2 composite will be gained when the volume fraction of ceramic bottom is less than 30%; that of ceramic rods is in the range of 30 approximately 80% and the ratio of thickness to width is less than 0.35.

  5. Kv1.3/Kv1.5 heteromeric channels compromise pharmacological responses in macrophages

    SciTech Connect

    Villalonga, Nuria; Escalada, Artur; Vicente, Ruben; Sanchez-Tillo, Ester; Celada, Antonio; Solsona, Carles; Felipe, Antonio . E-mail: afelipe@ub.edu

    2007-01-26

    Voltage-dependent K{sup +} (Kv) channels are involved in the immune response. Kv1.3 is highly expressed in activated macrophages and T-effector memory cells of autoimmune disease patients. Macrophages are actively involved in T-cell activation by cytokine production and antigen presentation. However, unlike T-cells, macrophages express Kv1.5, which is resistant to Kv1.3-drugs. We demonstrate that mononuclear phagocytes express different Kv1.3/Kv1.5 ratios, leading to biophysically and pharmacologically distinct channels. Therefore, Kv1.3-based treatments to alter physiological responses, such as proliferation and activation, are impaired by Kv1.5 expression. The presence of Kv1.5 in the macrophagic lineage should be taken into account when designing Kv1.3-based therapies.

  6. Ab initio vibrational analysis of trans- and gauche-2,3-dimethylbuta-1,3-diene

    NASA Astrophysics Data System (ADS)

    Bock, Charles W.; Panchenko, Yurii N.

    1990-04-01

    The harmonic force fields of the s- trans( anti) and gauche conformers of 2,3-dimethylbuta-1,3-diene have been calculated ab initio at the RHF/6-31G//RHF/6-31G level. These force fields have been further refined using scale factors transferred from analogous calculations at the RHF/6-31G level for s- trans-buta-1,3-diene and ethane. A complete assignment of the experimental vibrational frequencies is given. Regularities in the vibrational spectra of the stable conformers of buta-1,3-diene, isoprene (2-methylbuta-1,3-diene) and 2,3-dimethylbuta-1,3-diene are discussed.

  7. Microbial conversion of glycerol to 1,3-propanediol and related compounds

    SciTech Connect

    Cameron, D.C.; Held, A.M.; Zhu, Mei-Ying

    1995-12-01

    Glycerol is a co-product of the conversion of vegetable oils and animal fats to soap, fatty acids, fatty acid esters and biodiesel fuel. We have investigated the use of both native and recombinant microorganisms for the conversion of glycerol to more valuable products. Fed-batch fermentations of glycerol by Klebsiella pneumoniae gave over 50 g/L of 1,3-propanediol (1,3-PD, trimethylene glycol) with high volumetric productivity. Escherichia coli containing genes for glycerol dehydratase and 1,3-PD oxidoreductase from K. pneumoniae also gave 1,3-PD from glycerol, but at a lower level than the native organism. Experiments with the recombinant E. coli have provided insights into ways to improve 1,3-PD production in both the recombinant and native organism and to modify the pathway for the production of compounds such as 3-hydroxypropionaldehyde and dihydroxyacetone.

  8. Inositol 1,3,4,6-tetrakisphosphate mobilizes calcium in Xenopus oocytes with high potency.

    PubMed Central

    Ivorra, I; Gigg, R; Irvine, R F; Parker, I

    1991-01-01

    Injection of Ins(1,3,4,6)P4 into Xenopus oocytes evoked Ca2(+)-dependent membrane currents with a potency 5-10 times less than Ins(1,4,5)P3, whereas Ins(1,3,4)P3 and Ins(1,3,4,5,6)P5 were almost ineffective. Responses to Ins(1,3,4,6)P4 arose through liberation of intracellular Ca2+ and through entry of extracellular Ca2+. These results, together with the observation that Ins(1,3,4,6)P4 facilitated responses to Ins(1,4,5)P3, suggests that both of these compounds may act on the same intracellular receptors. PMID:1991032

  9. [The airborne 1,3-butadiene concentrations in rubber and plastic processing plants].

    PubMed

    Yoshida, Toshiaki; Tainaka, Hidetsugu; Matsunaga, Ichiro; Goto, Sumio

    2002-03-01

    Environment pollution by 1,3-butadiene had considerably increased in Japan. The main cause of the pollution is the automotive exhaust gas, and leaks from factories, smoking, and burning of rubber and plastic products are considered to be minor sources. The object of this study was to determine the contamination levels of airborne 1,3-butadiene in factories processing rubber and plastics containing 1,3-butadiene. The concentrations of airborne 1,3-butadiene were measured in 21 plants (10 rubber processing plants and 11 plastics processing plants) in Osaka. 1,3-Butadiene in air was collected for 10 minutes with a charcoal tube and a portable small pump adjusted to a 250 ml/min flow rate. In each plant, indoor air samples at five points and an outdoor air sample at one point outside the plant were collected. The samples were subjected to gas chromatography/mass spectrometry after thermal desorption from the charcoal. The concentrations of airborne 1,3-butadiene in the rubber processing plants and the plastics processing plants were 0.14-2.20 micrograms/m3 (geometric mean: 0.48 microgram/m3) and 0.23-4.51 micrograms/m3 (geometric mean: 0.80 microgram/m3), respectively. In all plants examined, indoor 1,3-butadiene concentrations were higher than the outdoor concentrations around the plants. Therefore, 1,3-butadiene was considered to arise from the processing of rubber or plastics, but the indoor 1,3-butadiene concentrations were much lower than the PEL-TWA (1 ppm = 2.21 mg/m3) of OSHA and the TLV-TWA (2 ppm) of ACGIH. The concentrations in the plants with closed room conditions without ventilation were higher than the concentrations in the other plants. It was suggested that ventilation affected the 1,3-butadiene concentration in the plants.

  10. Mechanisms for 1,3-Dichloropropene Dissipation in Biochar-Amended Soils.

    PubMed

    Wang, Qiuxia; Gao, Suduan; Wang, Dong; Spokas, Kurt; Cao, Aocheng; Yan, Dongdong

    2016-03-30

    Biochar, which is organic material heated under a limited supply of oxygen, has the potential to reduce fumigant emissions when incorporated in the soil, but the mechanisms are not fully understood. The objective of this study was to determine the effects of biochar properties, amendment rate, soil microbe, moisture, temperature, and soil type on the fate of 1,3-dichloropropene (1,3-D) isomers in laboratory incubation experiments by assessing the 1,3-D degradation rate and adsorption capacity. 1,3-D dissipation rates were significantly reduced due to strong adsorption by biochar, which was also strongly affected by biochar type. Following a 1% biochar amendment, the half-lives of 1,3-D in soil were increased 2.5-35 times. The half-lives of 1,3-D in soil were strongly affected by soil moisture, temperature, and amendment rate. The effects of sterilization on 1,3-D degradation were much smaller in biochar-amended soils than in nonsterilized soils, which suggests the importance of abiotic pathways with biochar's presence. Dissipation of 1,3-D in biochar was divided into adsorption (49-93%) and chemical degradation pathways. Biochar properties, such as specific surface area (SSA), pH, water content, carbon content, and feedstock, all appeared to affect 1,3-D dissipation with potentially complex interactions. The biochar (air-dry) water content was highly correlated with 1,3-D adsorption capacity and thus can serve as an important predictor for fumigant mitigation use. The fate of the adsorbed fumigant onto biochar requires further examination on potential long-term environmental impacts before guidelines for biochar as a field practice to control fumigant emissions can be formulated.

  11. Modulation of PC1/3 activity by self-interaction and substrate binding.

    PubMed

    Hoshino, Akina; Kowalska, Dorota; Jean, François; Lazure, Claude; Lindberg, Iris

    2011-04-01

    Prohormone convertase (PC)1/3 is a eukaryotic serine protease in the subtilase family that participates in the proteolytic maturation of prohormone and neuropeptide precursors such as proinsulin and proopiomelanocortin. Despite the important role of this enzyme in peptide synthesis, how PC1/3 activity is regulated is still poorly understood. Using ion exchange chromatography and two-dimensional gel electrophoresis we found that natural PC1/3 present in AtT-20 cells and bovine chromaffin granules, as well as recombinant PC1/3 secreted from overexpressing Chinese hamster ovary cells, exists as multiple ionic forms. Gel filtration and cross-linking studies revealed that protein oligomerization and aggregation contribute greatly to variability in surface charge. The most acidic forms of PC1/3 contained both inactive aggregates as well as oligomerized 87-kDa PC1/3 that exhibited stable activity which was partially latent and could be revealed by dilution. No such latency was observed for the more basic, 66/74-kDa forms of PC1/3. Fractions containing these species were stabilized by preincubation with micromolar concentrations of either fluorogenic substrate or peptides containing pairs of basic residues. In addition, the most active form of 87-kDa PC1/3, a probable homodimer, was activated by preincubation with these same peptides. Cleavage by PC1/3 is often the initiating step in the biosynthetic pathway for peptide hormones, implying that this is a natural step for regulation. Our data suggest that enzyme oligomerization and peptide stabilization represent important contributing factors for the control of PC1/3 activity within secretory granules.

  12. 1,3-Propanediol production by Escherichia coli using genes from Citrobacter freundii atcc 8090.

    PubMed

    Przystałowska, Hanna; Zeyland, Joanna; Kośmider, Alicja; Szalata, Marlena; Słomski, Ryszard; Lipiński, Daniel

    2015-01-01

    Compared with chemical synthesis, fermentation has the advantage of mass production at low cost, and has been used in the production of various industrial chemicals. As a valuable organic compound, 1,3-propanediol (1,3-PDO) has numerous applications in the production of polymers, lubricants, cosmetics and medicines. Here, conversion of glycerol (a renewable substrate and waste from biodiesel production) to 1,3-PDO by E. coli bacterial strain carrying altered glycerol metabolic pathway was investigated. Two gene constructs containing the 1,3-PDO operon from Citrobacter freundii (pCF1 and pCF2) were used to transform the bacteria. The pCF1 gene expression construct contained dhaBCE genes encoding the three subunits of glycerol dehydratase, dhaF encoding the large subunit of the glycerol dehydratase reactivation factor and dhaG encoding the small subunit of the glycerol dehydratase reactivating factor. The pCF2 gene expression construct contained the dhaT gene encoding the 1,3-propanediol dehydrogenase. Expression of the genes cloned in the above constructs was under regulation of the T7lac promoter. RT-PCR, SDS-PAGE analyses and functional tests confirmed that 1,3-PDO synthesis pathway genes were expressed at the RNA and protein levels, and worked flawlessly in the heterologous host. In a batch flask culture, in a short time applied just to identify the 1,3-PDO in a preliminary study, the recombinant E. coli bacteria produced 1.53 g/L of 1,3-PDO, using 21.2 g/L of glycerol in 72 h. In the Sartorius Biostat B Plus reactor, they produced 11.7 g/L of 1,3-PDO using 24.2 g/L of glycerol, attaining an efficiency of 0.58 [mol1,3-PDO/molglycerol].

  13. Mitochondrial Ultrastructure and Glucose Signaling Pathways Attributed to the Kv1.3 Ion Channel.

    PubMed

    Kovach, Christopher P; Al Koborssy, Dolly; Huang, Zhenbo; Chelette, Brandon M; Fadool, James M; Fadool, Debra A

    2016-01-01

    Gene-targeted deletion of the potassium channel Kv1.3 (Kv1.3(-∕-)) results in "Super-smeller" mice with a sensory phenotype that includes an increased olfactory ability linked to changes in olfactory circuitry, increased abundance of olfactory cilia, and increased expression of odorant receptors and the G-protein, Golf. Kv1.3(-∕-) mice also have a metabolic phenotype including lower body weight and decreased adiposity, increased total energy expenditure (TEE), increased locomotor activity, and resistance to both diet- and genetic-induced obesity. We explored two cellular aspects to elucidate the mechanism by which loss of Kv1.3 channel in the olfactory bulb (OB) may enhance glucose utilization and metabolic rate. First, using in situ hybridization we find that Kv1.3 and the insulin-dependent glucose transporter type 4 (GLUT4) are co-localized to the mitral cell layer of the OB. Disruption of Kv1.3 conduction via construction of a pore mutation (W386F Kv1.3) was sufficient to independently translocate GLUT4 to the plasma membrane in HEK 293 cells. Because olfactory sensory perception and the maintenance of action potential (AP) firing frequency by mitral cells of the OB is highly energy demanding and Kv1.3 is also expressed in mitochondria, we next explored the structure of this organelle in mitral cells. We challenged wildtype (WT) and Kv1.3(-∕-) male mice with a moderately high-fat diet (MHF, 31.8 % kcal fat) for 4 months and then examined OB ultrastructure using transmission electron microscopy. In WT mice, mitochondria were significantly enlarged following diet-induced obesity (DIO) and there were fewer mitochondria, likely due to mitophagy. Interestingly, mitochondria were significantly smaller in Kv1.3(-∕-) mice compared with that of WT mice. Similar to their metabolic resistance to DIO, the Kv1.3(-∕-) mice had unchanged mitochondria in terms of cross sectional area and abundance following a challenge with modified diet. We are very interested to

  14. Mitochondrial Ultrastructure and Glucose Signaling Pathways Attributed to the Kv1.3 Ion Channel

    PubMed Central

    Kovach, Christopher P.; Al Koborssy, Dolly; Huang, Zhenbo; Chelette, Brandon M.; Fadool, James M.; Fadool, Debra A.

    2016-01-01

    Gene-targeted deletion of the potassium channel Kv1.3 (Kv1.3−∕−) results in “Super-smeller” mice with a sensory phenotype that includes an increased olfactory ability linked to changes in olfactory circuitry, increased abundance of olfactory cilia, and increased expression of odorant receptors and the G-protein, Golf. Kv1.3−∕− mice also have a metabolic phenotype including lower body weight and decreased adiposity, increased total energy expenditure (TEE), increased locomotor activity, and resistance to both diet- and genetic-induced obesity. We explored two cellular aspects to elucidate the mechanism by which loss of Kv1.3 channel in the olfactory bulb (OB) may enhance glucose utilization and metabolic rate. First, using in situ hybridization we find that Kv1.3 and the insulin-dependent glucose transporter type 4 (GLUT4) are co-localized to the mitral cell layer of the OB. Disruption of Kv1.3 conduction via construction of a pore mutation (W386F Kv1.3) was sufficient to independently translocate GLUT4 to the plasma membrane in HEK 293 cells. Because olfactory sensory perception and the maintenance of action potential (AP) firing frequency by mitral cells of the OB is highly energy demanding and Kv1.3 is also expressed in mitochondria, we next explored the structure of this organelle in mitral cells. We challenged wildtype (WT) and Kv1.3−∕− male mice with a moderately high-fat diet (MHF, 31.8 % kcal fat) for 4 months and then examined OB ultrastructure using transmission electron microscopy. In WT mice, mitochondria were significantly enlarged following diet-induced obesity (DIO) and there were fewer mitochondria, likely due to mitophagy. Interestingly, mitochondria were significantly smaller in Kv1.3−∕− mice compared with that of WT mice. Similar to their metabolic resistance to DIO, the Kv1.3−∕− mice had unchanged mitochondria in terms of cross sectional area and abundance following a challenge with modified diet. We are very

  15. Enhanced oxygen reducibility of 0.5Li2MnO3·0.5LiNi1/3Co1/3Mn1/3O2 cathode material with mild acid treatment

    NASA Astrophysics Data System (ADS)

    Xu, Guofeng; Li, Jianling; Xue, Qingrui; Ren, Xianping; Yan, Gang; Wang, Xindong; Kang, Feiyu

    2014-02-01

    Solid solution cathode material 0.5Li2MnO3·0.5LiNi1/3Co1/3Mn1/3O2 has been synthesized by a co-precipitation method and a mild acid was adopted to give rise to the H+/Li+ exchange reaction. The inductively coupled plasma-atomic emission spectrometry (ICP-AES) and atomic absorption spectroscopy (AAS) data show that the H+/Li+ exchange reaction actually occurs and the chemical composition is H0.06Li1.15Ni0.13Co0.14Mn0.55O2.03 after the material was treated. The X-ray powder diffraction patterns indicates that the structure doesn't change through the H+/Li+ exchange reaction and remains the hexagonal α-NaFeO2 layered structure with space group of R-3m. The field-emission scanning electron microscope (SEM) and transmission electron microscope (TEM) images show that there are traces of erosion on the surface of the H+/Li+ exchanged sample. The initial charge-discharge curve measured at 0.05C (12.5 mA g-1) demonstrates that the H+/Li+ exchanged electrode delivers a capacity of up to 314.0 mAh g-1 and coulombic increased initial efficiency. Cycle voltammetry (CV) measurement confirms this is attributed to the improvement of the reduction catalytic activity of oxygen released during the initial charging. The processed electrode also displays improved rate performance.

  16. Delayed myelosuppression with acute exposure to hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and environmental degradation product hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX) in rats.

    PubMed

    Jaligama, Sridhar; Kale, Vijay M; Wilbanks, Mitchell S; Perkins, Edward J; Meyer, Sharon A

    2013-02-01

    Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), a widely used munitions compound, and hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine (MNX), its N-nitroso product of anaerobic microbial nitroreduction, are contaminants of military sites. Previous studies have shown MNX to be the most acutely toxic among the nitroreduced degradation products of RDX and to cause mild anemia at high dose. The present study compares hematotoxicity with acute oral exposure to MNX with parent RDX. Both RDX and MNX caused a modest decrease in blood hemoglobin and ~50% loss of granulocytes (NOAELs=47 mg/kg) in female Sprague-Dawley rats observed 14 days post-exposure. We explored the possibility that blood cell loss observed after 14 days was delayed in onset because of toxicity to bone marrow (BM) progenitors. RDX and MNX decreased granulocyte/macrophage-colony forming cells (GM-CFCs) at 14, but not 7, days (NOAELs=24 mg/kg). The earliest observed time at which MNX decreased GM-CFCs was 10 days post-exposure. RDX and MNX likewise decreased BM burst-forming units-erythroid (BFU-Es) at 14, but not 7, days. Granulocyte-erythrocyte-monocyte-megakaryocyte (GEMM)-CFCs were unaffected by RDX and MNX at 7 days suggesting precursor depletion did not account for GM-CFC and BFU-E loss. MNX added to the culture media was without effect on GM-CFC formation indicating no direct inhibition. Flow cytometry showed no differential loss of BM multilineage progenitors (Thy1.1(+)) or erythroid (CD71(+)) precursors with MNX suggesting myeloid and erythroid lineages were comparably affected. Collectively, these data indicate that acute exposure to both RDX and MNX caused delayed suppression of myelo- and erythropoiesis with subsequent decrease of peripheral granulocytes and erythrocytes. Copyright © 2012 Elsevier Inc. All rights reserved.

  17. LiNi1/3Co1/3Mn1/3O2 nanoplates with {010} active planes exposing prepared in polyol medium as a high-performance cathode for Li-ion battery.

    PubMed

    Li, Jili; Yao, Ruimin; Cao, Chuanbao

    2014-04-09

    As we know, Li(+)-ion transport in layered LiNi1/3Co1/3Mn1/3O2 (NCM) is through two-dimensional channels parallel to the Li(+)-ion layers that are indexed as {010} active planes. In this paper, NCM nanoplates with exposed {010} active facets are synthesized in a polyol medium (ethylene glycol) and characterized by XRD, XPS, SEM, and HR-TEM. In addition, the effects of reaction conditions on the morphologies, structures and electrochemical performances are also evaluated. The results show that more {010} facets can be exposed with the thickness of NCM nanoplates increasing which can lead to more channels for Li(+)-ion migration. However, when the annealing temperatures exceed 900 °C, many new crystal planes grow along the thickness direction covering the {010} facets. In all of the NCM nanoplates obtained at different conditions, the NCM nanoplates calcined at 850 °C for 12 h (NCM-850-12H) display a high initial discharge capacity of 207.6 mAh g(-1) at 0.1 C (1 C = 200 mA g(-1)) between 2.5 and 4.5 V higher than most of NCM materials as cathodes for lithium ion batteries. The discharge capacities of NCM-850-12H are 169.8, 160.5, and 149.3 mAh g(-1) at 2, 5, and 7 C, respectively, illustrating the excellent rate capability. The superior electrochemical performance of NCM-850-12H cathode can be attributed to more {010} active planes exposure.

  18. Hierarchical Porous LiNi1/3Co1/3Mn1/3O2 Nano-/Micro Spherical Cathode Material: Minimized Cation Mixing and Improved Li+ Mobility for Enhanced Electrochemical Performance

    PubMed Central

    Chen, Zhen; Wang, Jin; Chao, Dongliang; Baikie, Tom; Bai, Linyi; Chen, Shi; Zhao, Yanli; Sum, Tze Chien; Lin, Jianyi; Shen, Zexiang

    2016-01-01

    Although being considered as one of the most promising cathode materials for Lithium-ion batteries (LIBs), LiNi1/3Co1/3Mn1/3O2 (NCM) is currently limited by its poor rate performance and cycle stability resulting from the thermodynamically favorable Li+/Ni2+ cation mixing which depresses the Li+ mobility. In this study, we developed a two-step method using fluffy MnO2 as template to prepare hierarchical porous nano-/microsphere NCM (PNM-NCM). Specifically, PNM-NCM microspheres achieves a high reversible specific capacity of 207.7 mAh g−1 at 0.1 C with excellent rate capability (163.6 and 148.9 mAh g−1 at 1 C and 2 C), and the reversible capacity retention can be well-maintained as high as 90.3% after 50 cycles. This excellent electrochemical performance is attributed to unique hierarchical porous nano-/microsphere structure which can increase the contact area with electrolyte, shorten Li+ diffusion path and thus improve the Li+ mobility. Moreover, as revealed by XRD Rietveld refinement analysis, a negligible cation mixing (1.9%) and high crystallinity with a well-formed layered structure also contribute to the enhanced C-rates performance and cycle stability. On the basis of our study, an effective strategy can be established to reveal the fundamental relationship between the structure/chemistry of these materials and their properties. PMID:27185646

  19. Fatigue in 0.5Li2MnO3:0.5Li(Ni1/3Co1/3Mn1/3)O2 positive electrodes for lithium ion batteries

    NASA Astrophysics Data System (ADS)

    Riekehr, Lars; Liu, Jinlong; Schwarz, Björn; Sigel, Florian; Kerkamm, Ingo; Xia, Yongyao; Ehrenberg, Helmut

    2016-09-01

    Two different Li-rich nickel-cobalt-manganese-oxide (Li-rich NCM) active materials with the same nominal composition 0.5Li2MnO3:0.5Li(Ni1/3Co1/3Mn1/3)O2 but different pristine nano structure have been analyzed structurally and electrochemically in different cycling states. For structural characterization, transmission electron microscopy (TEM) and high resolution synchrotron powder diffraction (S-XRD) experiments were conducted. The changes in structure with increasing cycle number are correlated with characteristic features in the corresponding electrochemical dQ/dV-profiles that were obtained by galvanostatically cycling the two different active materials. The presented data demonstrates that structural changes upon cycling, e.g. LiMnO2 and spinel formation, strongly depend on the degree oxygen is involved in the reversible charge compensation for delithiation/lithiation. According to our data, firstly a twin-like environment with nanometer dimensions is formed within the R-3m matrix during the initial cycle, which then gradually transforms into a spinel-like structure with increasing cycle number. As another result, we can show that Li2MnO3 to LiMnO2 transformation is not directly dependent in the irreversible oxygen loss in the first cycle but more importantly on transition metal migration. A model is presented explaining the dependency of LiMnO2 and spinel formation on the ability of Li-rich active materials to include oxygen in the charge compensation process.

  20. Hierarchical Porous LiNi1/3Co1/3Mn1/3O2 Nano-/Micro Spherical Cathode Material: Minimized Cation Mixing and Improved Li(+) Mobility for Enhanced Electrochemical Performance.

    PubMed

    Chen, Zhen; Wang, Jin; Chao, Dongliang; Baikie, Tom; Bai, Linyi; Chen, Shi; Zhao, Yanli; Sum, Tze Chien; Lin, Jianyi; Shen, Zexiang

    2016-05-17

    Although being considered as one of the most promising cathode materials for Lithium-ion batteries (LIBs), LiNi1/3Co1/3Mn1/3O2 (NCM) is currently limited by its poor rate performance and cycle stability resulting from the thermodynamically favorable Li(+)/Ni(2+) cation mixing which depresses the Li(+) mobility. In this study, we developed a two-step method using fluffy MnO2 as template to prepare hierarchical porous nano-/microsphere NCM (PNM-NCM). Specifically, PNM-NCM microspheres achieves a high reversible specific capacity of 207.7 mAh g(-1) at 0.1 C with excellent rate capability (163.6 and 148.9 mAh g(-1) at 1 C and 2 C), and the reversible capacity retention can be well-maintained as high as 90.3% after 50 cycles. This excellent electrochemical performance is attributed to unique hierarchical porous nano-/microsphere structure which can increase the contact area with electrolyte, shorten Li(+) diffusion path and thus improve the Li(+) mobility. Moreover, as revealed by XRD Rietveld refinement analysis, a negligible cation mixing (1.9%) and high crystallinity with a well-formed layered structure also contribute to the enhanced C-rates performance and cycle stability. On the basis of our study, an effective strategy can be established to reveal the fundamental relationship between the structure/chemistry of these materials and their properties.

  1. 1,3-Propanediol production potential of Clostridium saccharobutylicum NRRL B-643.

    PubMed

    Gungormusler, Mine; Gonen, Cagdas; Ozdemir, Guven; Azbar, Nuri

    2010-12-31

    Owing to the significant interest in biofuel production in the form of biodiesel, vast amount of glycerol as a waste product is produced all over the world. Among the economically viable and ecologically acceptable solutions for the safe disposal of this waste, biotechnological conversion of glycerol into a valuable bioplastic raw material, namely 1,3-propanediol (1,3-PDO) seems to be very promising. In this study, 1,3-PDO production potential of Clostridium saccharobutylicum NRRL B-643 was studied and the results were compared with other types of anaerobic microorganisms (Clostridium spp., Pantoea agglomerans, Ochrobactrum anthropi, Chyreseomonas luteola, and Klebsiella pneumoniae) and aerobic microorganisms (Lactobacillus spp.). The results were important for understanding the significance of C. saccharobutylicum NRRL B-643 among other well-known 1,3-PDO producer species. According to the screening results only C. saccharobutylicum (B-643) was able to consume feed glycerol almost entirely. However, 1,3-PDO production yield was found to be 0.36mol/mol which is lower than that of Clostiridium beijerinckii (B-593). B-593 showed the highest value of production yields with 0.54 mol/mol. This microorganism is seen as a promising type for further 1,3-PDO studies, because it has the highest substrate utilization percentage among others. In this regard, this microorganism may have an important role in tolerating and converting glycerol during fermentation into 1,3-PDO. Copyright © 2010 Elsevier B.V. All rights reserved.

  2. 1,3,4-oxadiazole: a privileged structure in antiviral agents.

    PubMed

    Li, Z; Zhan, P; Liu, X

    2011-11-01

    1,3,4-oxadiazole, a privileged structure, endows its derivatives with broad and potent biological functions, especially in antiviral activities, including anti-HIV, anti-HCV, anti-HBV, anti-HSV activities, etc. Molecular modeling and pharmacokinetic studies have demonstrated that the introduction of 1,3,4-oxadiazole ring to the inhibitors can change their polarity, flexibility as well as metabolic stability, and 1,3,4-oxadiazole scaffold can also act as acceptors of hydrogen bonds formation, which make it possible to be used as a isosteric substituent for amide or ester groups. This review focuses on the recent advances in the synthesis of 1,3,4-oxadiazole ring and mainly the discovery, biological activities investigations and structural modifications of several distinct classes of 1,3,4-oxadiazoles as potent antiviral agents. In addition, the binding models of some representative 1,3,4-oxadiazoles were also discussed, which provide rational explanation for their interesting antiviral activities, and also pave the way for further optimization of 1,3,4- oxadiazole based antiviral agents.

  3. Klebsiella spp as a 1, 3-propanediol producer: the metabolic engineering approach.

    PubMed

    Celińska, E

    2012-09-01

    Klebsiella spp are one of the best natural producers of 1,3-propanediol (1,3-PD). However, their usage in the biotechnological production of the diol is limited, since the species belong to the second hazard group. Nevertheless, multiple advantageous traits of Klebsiella spp justify the international effort devoted to develop a biotechnological process of 1,3-PD production with these microorganisms. Apart from the process engineering approach aiming at improvement of 1,3-PD production by Klebsiella spp, plethora of metabolic engineering approaches have been reported. Different strategies have been undertaken to genetically improve Klebsiella strains and provide them with the ability to synthesize 1,3-PD more efficiently. These include over-expression of both homologous and heterologous genes of the 1,3-PD synthesis pathway, protein and cofactor engineering, deletion of the genes involved in by-products formation. This review provides an overview of the initial and most recent reports on the metabolic engineering of Klebsiella spp with the aim of improvement of 1,3-PD biosynthesis.

  4. Eliciting hyperacute xenograft response to treat human cancer: alpha(1,3) galactosyltransferase gene therapy.

    PubMed

    Link, C J; Seregina, T; Atchison, R; Hall, A; Muldoon, R; Levy, J P

    1998-01-01

    Xenograft hyperacute rejection in humans occurs as a secondary response to a cellular glycosylation incompatibility with most non-human mammalian species. A key component of hyperacute rejection, alpha(1,3)galactosyl (agal) epitopes present on the surface of most non-human mammal cells, is bound by host anti-agal IgG antibodies leading to the activation of complement and, cellular lysis (1). The enzyme causing specific glycosylation patterns, alpha(1,3)galactosyltransferase [alpha(1,3)GT], directs the addition of agal to N-acetyl glucosamine residues in the trans Golgi apparatus in most mammalian species including Mus musculus, but not old world primates, apes or humans. In this report, we cloned both a truncated and full length murine alpha(1,3)GT gene into a retroviral vector backbone in order to transfer alpha(1,3)galactosyl epitopes into human A375 melanoma cells. Expression of agal epitopes on A375 cells after alpha(1,3)GT gene transfer was demonstrated using FITC-labeled ligand and FACS analysis. These cells were exposed to human serum for 30 minutes and > 90% of the agal expressing cells were killed by this treatment. These pretreated cells failed to establish tumors after implantation into athymic nude mice. This is the first report of retroviral vector transfer of the alpha(1,3)GT gene into human tumor cells in an attempt to elicit hyperacute rejection as a novel anti-cancer gene therapy strategy.

  5. Case of allergic contact dermatitis due to 1,3-butylene glycol.

    PubMed

    Aizawa, Atsuko; Ito, Akiko; Masui, Yukiko; Ito, Masaaki

    2014-09-01

    1,3-Butylene glycol (1,3-BG) is widely used in cosmetics, including low-irritant skin care products and topical medicaments, as an excellent and low-irritation humectant. We report a case of allergic contact dermatitis caused by 1,3-BG. A 28-year-old woman suffered from an itchy erythematous eruption on her face. By 2 days of closed patch testing, her own cosmetics and many of the hypo-irritant skin care products showed positive results. A second patch testing showed positive reaction to 1,3-BG (1% and 5%). 1,3-BG was a common component in most of the products that had elicited a positive reaction in the first patch testing. Although allergic contact dermatitis due to 1,3-BG is not so common, we have to consider 1,3-BG as a possible contact allergen in the patients presenting with allergic contact dermatitis due to various cosmetics.

  6. Microbial production of 1,3-propanediol: Recent developments and emerging opportunities.

    PubMed

    Saxena, R K; Anand, Pinki; Saran, Saurabh; Isar, Jasmine

    2009-01-01

    1,3-Propanediol, a valuable bifunctional molecule, can be produced from renewable resources using microorganisms. It has several promising properties for many synthetic reactions, particularly for polymer and cosmetic industries. By virtue of being a natural product, relevant biochemical pathways can be harnessed into fermentation processes to produce 1,3-propanediol. Various strategies for the microbial production of 1,3-propanediol are reviewed and compared in this article with their promises and constraints. Furthermore, genetic and metabolic engineering could significantly improve product yields and overcome the limitations of fermentation technology. Present review gives an overview on 1,3-propanediol production by wild and recombinant strains. It also attempts to encompass the various issues concerned in utilization of crude glycerol for 1,3-propanediol production, with particular emphasis laid on biodiesel industries. This review also summarizes the present state of strategies studied for the downstream processing and purification of biologically produced 1,3-propanediol. The future prospect of 1,3-propanediol and its potential as a major bulk chemical are discussed under the light of the current research.

  7. Single crystal PMN-PT/epoxy 1-3 composite for energy-harvesting application.

    PubMed

    Ren, Kailiang; Liu, Yiming; Geng, Xuecang; Hofmann, Heath F; Zhang, Qiming M

    2006-03-01

    One key parameter in using electroactive materials to harvest electric energy from mechanical sources is the energy conversion efficiency. Recently, it was shown that, in the relaxor ferroelectric PMN-PT single crystals, a very high longitudinal electromechanical coupling factor (>90%) can be obtained. This paper investigates energy harvesting using 1-3 composites of PMN-PT single crystals in a soft epoxy matrix. It is shown that 1-3 composites enable the single crystals operating in the longitudinal mode to achieve high efficiency for energy harvesting, and the soft-polymer, matrix-supported single-crystal rods maintain high mechanical integrity under different external loads. For comparison, 1-3 composites with piezoceramic PZT also are investigated in energy-harvesting applications, and the results show that the high coupling factor of single crystal PMN-PT 1-3 composites leads to much higher electric energy output for similar mechanical energy input. The harvested energy density of 1-3 composite with single crystal (22.1 mW/cm3 under a stress of 40.4 MPa) is about twice of that harvested with PZT ceramic 1-3 composite (12 mW/cm3 under a stress of 39 MPa). At a higher stress level, the harvested-energy density of 1-3 PMN-PT single crystal composite can reach 96 mW/cm3.

  8. Cortisone and hydrocortisone inhibit human Kv1.3 activity in a non-genomic manner.

    PubMed

    Yu, Jing; Park, Mi-Hyeong; Choi, Se-Young; Jo, Su-Hyun

    2015-06-01

    Glucocorticoids are hormones released in response to stress that are involved in various physiological processes including immune functions. One immune-modulating mechanism is achieved by the Kv1.3 voltage-dependent potassium channel, which is expressed highly in lymphocytes including effector memory T lymphocytes (TEM). Although glucocorticoids are known to inhibit Kv1.3 function, the detailed inhibitory mechanism is not yet fully understood. Here we studied the rapid non-genomic effects of cortisone and hydrocortisone on the human Kv1.3 channel expressed in Xenopus oocytes. Both cortisone and hydrocortisone reduced the amplitude of the Kv1.3 channel current in a concentration-dependent manner. Both cortisone and hydrocortisone rapidly and irreversibly inhibited Kv1.3 currents, eliminating the possibility of genomic regulation. Inhibition rate was stable relative to the degree of depolarization. Kinetically, cortisone altered the activating gate of Kv1.3 and hydrocortisone interacted with this channel in an open state. These results suggest that cortisone and hydrocortisone inhibit Kv1.3 currents via a non-genomic mechanism, providing a mechanism for the immunosuppressive effects of glucocorticoids.

  9. Biosynthesis of 1,3-propanediol from glycerol with Lactobacillus reuteri: effect of operating variables.

    PubMed

    Jolly, Jyotsna; Hitzmann, Bernd; Ramalingam, Subramanian; Ramachandran, Kadathur B

    2014-08-01

    Chemical synthesis of 1,3-propanediol (1,3-PD) is environmentally unfriendly and hence its microbial production is preferred, especially for biomedical, cosmetic and textile applications. In this work, production of 1,3-PD by co-fermentation of glucose and glycerol by Lactobacillus reuteri was investigated under different cultivation conditions such as aeration, acetate concentration and different molar ratios of glucose/glycerol. The final concentration of 1,3-PD and yield attained under unaerated conditions was close to that obtained under anaerobic conditions. Addition of acetate in the initial medium at 5 g/l increased the productivity of 1,3-PD but above this concentration it was found to be inhibitory. Batch reactor experiments showed that the molar ratio of glucose and glycerol in the medium affected the fermentation pattern. The effect of molar ratios was further investigated in fed-batch fermentation and the optimum ratio was found to be 1.5. In repeated fed-batch fermentation with co-feeding of glucose and glycerol in the molar ratio of 1.5, 1,3-PD concentration reached up to 65.3 g/l, which is the highest 1,3-PD concentration reported so far for this strain. The yield (0.97 mol/mol) based on glycerol utilized also approached the theoretical value (1 mol/mol).

  10. Debottlenecking product inhibition in 1,3-propanediol fermentation by In-Situ Product Recovery.

    PubMed

    Kaur, Guneet; Srivastava, A K; Chand, Subhash

    2015-12-01

    The present work describes the application of liquid-liquid extraction as an In-Situ product recovery (ISPR) technique to overcome the problem of product inhibition in 1,3-PD fermentation. As a part of initial screening experiments, six solvents were subjected to phase separation and biocompatibility tests to find the best extractant for in-situ removal of 1,3-PD from the bioreactor. These included tributylphosphate, ethyl acetate, butyl acetate, oleyl alcohol, oleic acid and hexanol. Of these, ethyl acetate was found to be the most suitable solvent for 1,3-PD extraction. Use of the selected extractant in continuous integrated fermentation-extraction was established by batch and fed-batch extractive fermentations which demonstrated a significantly improved 1,3-PD production of 35g/L and 74.5g/L, respectively. A steady state 1,3-PD concentration of 58g/L was obtained in continuous extractive system. Continuous cultivation with in-situ cell retention and in-situ 1,3-PD removal demonstrated a 5-fold enhancement in 1,3-PD productivity over non-extractive batch.

  11. Ab initio study of coherent anti-Stokes Raman scattering (CARS) of the 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) explosive

    NASA Astrophysics Data System (ADS)

    Mohammed, Abdelsalam; Ågren, Hans; Thorvaldsen, Andreas J.; Ruud, Kenneth

    2010-01-01

    Coherent anti-Stokes Raman scattering (CARS) of the 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX) C 3H 6N 6O 6 molecule is studied by ab initio methods. The results are compared to available experimental observations and against calculations and experimental observations of the conventional non-resonant Raman spectrum for RDX. It is found that all intense bands in the observed CARS spectrum and all Raman differential cross sections are well reproduced by the calculations. The features of the resonant CARS signal vary strongly from the corresponding Raman signal, and are obtained with a considerably larger cross section, a fact that could further facilitate the use of CARS spectroscopy in applications of stand-off detection of gaseous samples at ultra-low concentrations.

  12. Crystal structure of Ln1/3NbO 3 ( Ln=Nd, Pr) and phase transition in Nd 1/3NbO 3

    NASA Astrophysics Data System (ADS)

    Zhang, Zhaoming; Howard, Christopher J.; Kennedy, Brendan J.; Knight, Kevin S.; Zhou, Qingdi

    2007-06-01

    The crystal structure of the A-site deficient perovskite Ln1/3NbO 3 ( Ln=Nd, Pr) at room temperature has been determined, for the first time, as orthorhombic in space group Cmmm using high-resolution neutron powder diffraction. Pertinent features are the alternation of unoccupied layers of A-sites and layers partly occupied by Ln cations, as well as out-of-phase tilting of the NbO 6 octahedra around an axis perpendicular to the direction of the cation/vacancy ordering. The phase transition behaviour of Nd 1/3NbO 3 has also been studied in situ. This compound undergoes a continuous phase transition at around 650 °C to a tetragonal structure in space group P4/ mmm due to the disappearance of the octahedral tilting. The analysis of spontaneous strains shows that this phase transition is tricritical in nature.

  13. Theoretical study of the thermodynamic properties, phase transition wave, and phase transition velocity for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

    NASA Astrophysics Data System (ADS)

    Long, Yao; Chen, Jun

    2015-09-01

    We develop a phonon-electron free energy model to study the thermodynamic properties and phase transitions of δ-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine. The bulk modulus, thermal expansion coefficient, specific heat, Hugoniot curve, and phase transition curve are calculated in wide temperature and pressure ranges. The results are in agreement with the available experiments at zero pressure, and are reasonable predictions at high pressure for the lack of experiment. Two kinds of phase transition waves are investigated. We find the velocity of shock-induced phase transition wave is between 3400 m/s and 4700 m/s, and the velocity of self-sustaining phase transition wave is between 1300 m/s and 1900 m/s.

  14. Theoretical study of the thermodynamic properties, phase transition wave, and phase transition velocity for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

    SciTech Connect

    Long, Yao; Chen, Jun

    2015-09-21

    We develop a phonon-electron free energy model to study the thermodynamic properties and phase transitions of δ-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine. The bulk modulus, thermal expansion coefficient, specific heat, Hugoniot curve, and phase transition curve are calculated in wide temperature and pressure ranges. The results are in agreement with the available experiments at zero pressure, and are reasonable predictions at high pressure for the lack of experiment. Two kinds of phase transition waves are investigated. We find the velocity of shock-induced phase transition wave is between 3400 m/s and 4700 m/s, and the velocity of self-sustaining phase transition wave is between 1300 m/s and 1900 m/s.

  15. RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) biodegradation in aquifer sediments under manganese-reducing conditions

    USGS Publications Warehouse

    Bradley, Paul M.; Dinicola, Richard S.

    2005-01-01

    A shallow, RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine)–contaminated aquifer at Naval Submarine Base Bangor has been characterized as predominantly manganese-reducing, anoxic with local pockets of oxic conditions. The potential contribution of microbial RDX degradation to localized decreases observed in aquifer RDX concentrations was assessed in sediment microcosms amended with [U-14C] RDX. Greater than 85% mineralization of 14C-RDX to 14CO2 was observed in aquifer sediment microcosms under native, manganese-reducing, anoxic conditions. Significant increases in the mineralization of 14C-RDX to 14CO2 were observed in anoxic microcosms under NO3-amended or Mn(IV)-amended conditions. No evidence of 14C-RDX biodegradation was observed under oxic conditions. These results indicate that microbial degradation of RDX may contribute to natural attenuation of RDX in manganese-reducing aquifer systems.

  16. Synthesis and antimicrobial evaluation of novel 4-amino-6-(1,3,4-oxadiazolo/1,3,4-thiadiazolo)-pyrimidine derivatives.

    PubMed

    Shetty, Poornima; Praveen, B M; Raghavendra, M; Manjunath, K; Cheruku, Srinivas

    2016-05-01

    A series of novel 4-amino-6-(1,3,4-oxadiazolo/1,3,4-thiadiazolo)-pyrimidine derivatives of biological interest were prepared by sequential amination, hydrazide formation, and hydrazine carbothioamidination followed by cyclization. All the synthesized compounds (6a-6h and 7a-7f) were screened for antibacterial and antifungal activity. From this group, compound 7f (MIC (μg/mL μg/mL )/Inhibition (mm): 6.25/23-30) showed good antibacterial and antifungal activity. Reagents and conditions: (a) Ethyl acetoacetate, 60% NaH, 1,4-dioxane, 60°C, 6 h; (b) DIPEA, 1,4-dioxane, 100°C, 14 h; (c) NH2NH2 ⋅ H2O, EtOH, reflux, 14 h; (d) Tolyl isothiocyanatobenzene, DMF, RT, 2 h; (e) (if X = O) EDC⋅ HCl, TEA, DMF, RT, 14 h; (f) (if X = S) Conc. H2O4, RT, 14h.

  17. RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) biodegradation in aquifer sediments under manganese-reducing conditions

    USGS Publications Warehouse

    Bradley, Paul M.; Dinicola, Richard S.

    2005-01-01

    A shallow, RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine)–contaminated aquifer at Naval Submarine Base Bangor has been characterized as predominantly manganese-reducing, anoxic with local pockets of oxic conditions. The potential contribution of microbial RDX degradation to localized decreases observed in aquifer RDX concentrations was assessed in sediment microcosms amended with [U-14C] RDX. Greater than 85% mineralization of 14C-RDX to 14CO2 was observed in aquifer sediment microcosms under native, manganese-reducing, anoxic conditions. Significant increases in the mineralization of 14C-RDX to 14CO2 were observed in anoxic microcosms under NO3-amended or Mn(IV)-amended conditions. No evidence of 14C-RDX biodegradation was observed under oxic conditions. These results indicate that microbial degradation of RDX may contribute to natural attenuation of RDX in manganese-reducing aquifer systems.

  18. Highly diastereoselective 1,3-dipolar cycloadditions of chiral non-racemic nitrones to 1,2-diaza-1,3-dienes: an experimental and computational investigation.

    PubMed

    Majer, Roberta; Konechnaya, Olga; Delso, Ignacio; Tejero, Tomas; Attanasi, Orazio A; Santeusanio, Stefania; Merino, Pedro

    2014-11-28

    Asymmetric 1,3-dipolar cycloadditions between 1,2-diaza-1,3-dienes and chiral non-racemic nitrones to give 3-substituted-5-diazenyl isoxazolidines were studied both experimentally and theoretically. Whereas cyclic nitrones provide complete selectivity for the cycloaddition reaction (only one isomer is obtained), acyclic nitrones derived from D-glyceraldehyde and D-galactose lead to 1 : 1 mixtures of two isomers. A DFT analysis based on reactivity indices correctly predicts the regiochemistry of the reaction in agreement with the high electron-withdrawing character of the diazenyl group. The same theoretical studies considering solvent effects (PCM model) based on transition state theory are in qualitative agreement with the observed experimental results.

  19. Liquid chromatography/electrospray ionization tandem mass spectrometry analysis of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX).

    PubMed

    Pan, Xiaoping; Zhang, Baohong; Tian, Kang; Jones, Lindsey E; Liu, Jun; Anderson, Todd A; Wang, Jia-Sheng; Cobb, George P

    2006-01-01

    A quantitative liquid chromatography/electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) method was developed for the analysis of the explosive, octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). In negative ionization mode, HMX forms an acetate adduct ion [M + CH(3)COO](-), m/z 355, in the presence of a small amount of acetic acid in the mobile phase. The ESI collision-induced dissociation (CID) spectrum of m/z 355 was acquired and the transitions m/z 355 --> 147 and m/z 355 --> 174 were chosen for the determination of HMX in samples. Using this quantification technique, the method detection limit was 1.57 microg/L and good linearity was achieved in the range 5-500 microg/L. This method will help to unambiguously analyze environmentally relevant concentrations of HMX. Copyright (c) 2006 John Wiley & Sons, Ltd.

  20. Crystal structure of 1,3-bis-(3-tert-butyl-2-hy-droxy-5-methyl-benz-yl)-1,3-diazinan-5-ol monohydrate.

    PubMed

    Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael

    2016-09-01

    In the title hydrate, C28H42N2O3·H2O, the central 1,3-diazinan-5-ol ring adopts a chair conformation with the two benzyl substituents equatorial and the lone pairs of the N atoms axial. The dihedral angle between the aromatic rings is 19.68 (38)°. There are two intra-molecular O-H⋯N hydrogen bonds, each generating an S(6) ring motif. In the crystal, classical O-H⋯O hydrogen bonds connect the 1,3-diazinane and water mol-ecules into columns extending along the b axis. The crystal structure was refined as a two-component twin with a fractional contribution to the minor domain of 0.0922 (18).