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Sample records for 96-03 vol 1-3

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

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... design, construction, and installation, shall be in accordance with the requirements of subchapter F (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems....

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

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... design, construction, and installation, shall be in accordance with the requirements of subchapter F (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems....

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

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... design, construction, and installation, shall be in accordance with the requirements of subchapter F (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems....

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

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... design, construction, and installation, shall be in accordance with the requirements of subchapter F (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems....

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

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... design, construction, and installation, shall be in accordance with the requirements of subchapter F (Marine Engineering) of this chapter. Systems of this type include the following: Steering Systems....

  6. 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

  7. 1,3-Dichloropropene

    Integrated Risk Information System (IRIS)

    EPA / 635 / R - 00 / 001 TOXICOLOGICAL REVIEW OF 1,3 - DICHLOROPROPENE ( CAS No . 542 - 75 - 6 ) In Support of Summary Information on the Integrated Risk Information System ( IRIS ) May 2000 U.S . Environmental Protection Agency Washington , DC DISCLAIMER This document has been reviewed in accordanc

  8. 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

  9. 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:…

  10. 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…

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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%.

  16. Testing the Generalized Partial Credit Model. Research Report 96-03.

    ERIC Educational Resources Information Center

    Glas, Cees A. W.

    The partial credit model (PCM) (G. N. Masters, 1982) can be viewed as a generalization of the Rasch model for dichotomous items to the case of polytomous items. In many cases, the PCM is too restrictive to fit the data. Several generalizations of the PCM have been proposed. In this paper, a generalization of the PCM (GPCM), a further…

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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....

  3. 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...

  4. 45 CFR 1211.1-3 - Definitions.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 4 2011-10-01 2011-10-01 false Definitions. 1211.1-3 Section 1211.1-3 Public Welfare Regulations Relating to Public Welfare (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE VOLUNTEER GRIEVANCE PROCEDURES § 1211.1-3 Definitions. (a) Volunteer means a person enrolled and currently serving as a full-time volunteer...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 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%.

  12. 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.

  13. 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)...

  14. 45 CFR 1206.1-3 - Definitions.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 4 2011-10-01 2011-10-01 false Definitions. 1206.1-3 Section 1206.1-3 Public Welfare Regulations Relating to Public Welfare (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE GRANTS AND CONTRACTS-SUSPENSION AND TERMINATION AND DENIAL OF APPLICATION FOR REFUNDING Suspension and Termination of Assistance §...

  15. 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,...

  16. 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.

  17. 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.

  18. 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

  19. 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

  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. 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

  2. 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...

  3. 21 CFR 1.3 - Definitions.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 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...

  4. 21 CFR 1.3 - Definitions.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... REGULATIONS § 1.3 Definitions. (a) Labeling includes all written, printed, or graphic matter accompanying an... delivery in interstate commerce. (b) Label means any display of written, printed, or graphic matter on...

  5. 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.

  6. 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

  7. [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.

  8. 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…

  9. 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)

  10. 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

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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

  16. 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.

  17. 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.

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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).

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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...

  14. 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...

  15. 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...

  16. 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...

  17. 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.

  18. 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.

  19. 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...

  20. 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...

  1. 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...

  2. 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,...

  3. 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...

  4. 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...

  5. 43 CFR 3862.1-3 - Evidence of title.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 2 2012-10-01 2012-10-01 false Evidence of title. 3862.1-3 Section 3862.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) MINERAL PATENT APPLICATIONS Lode Mining Claim Patent Applications § 3862.1-3 Evidence of...

  6. 43 CFR 3862.1-3 - Evidence of title.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 2 2013-10-01 2013-10-01 false Evidence of title. 3862.1-3 Section 3862.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) MINERAL PATENT APPLICATIONS Lode Mining Claim Patent Applications § 3862.1-3 Evidence of...

  7. 43 CFR 3862.1-3 - Evidence of title.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 2 2011-10-01 2011-10-01 false Evidence of title. 3862.1-3 Section 3862.1-3 Public Lands: Interior Regulations Relating to Public Lands (Continued) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) MINERAL PATENT APPLICATIONS Lode Mining Claim Patent Applications § 3862.1-3 Evidence of...

  8. 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

  9. 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...

  10. 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%.

  11. 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...

  12. 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...

  13. 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...

  14. 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...

  15. 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...

  16. 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.

  17. Calendering effects on the physical and electrochemical properties of Li[Ni1/3Mn1/3Co1/3]O2 cathode

    NASA Astrophysics Data System (ADS)

    Zheng, Honghe; Tan, Li; Liu, Gao; Song, Xiangyun; Battaglia, Vincent S.

    2012-06-01

    Li[Ni1/3Mn1/3Co1/3]O2 cathode laminate containing 8% PVDF and 7% acetylene black is fabricated and calendered to different porosities. Calendering effects on the physical and electrochemical properties of the Li[Ni1/3Mn1/3Co1/3]O2 cathode are investigated. It is found that mechanical properties of the composite laminate strongly depend on the electrode porosity whereas the electronic conductivity is not significantly affected by calendering. Electrochemical performances including the specific capacity, the first coulombic efficiency, cycling performance and rate capability for the cathode at different porosities are compared. An optimized porosity of around 30-40% is identified. Electrochemical impedance spectroscopy (EIS) studies illustrate that calendering improves the electronic conductivity between active particles at relatively high porosities, but increases charge transfer resistance at electrode/electrolyte interface at relatively low porosities. An increase of activation energy of Li interfacial transfer for the electrode at 0% porosity indicates a relatively high barrier of activation at the electrode/electrolyte interface, which accounts for the poor rate capability of the electrode at extremely low porosity.

  18. 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.

  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. 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.

  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. 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...

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 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...

  12. 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...

  13. 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...

  14. 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...

  15. 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...

  16. 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).

  17. 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.

  18. 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.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  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. 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

  3. 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.

  4. 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.”.

  5. 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.

  6. 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

  7. 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.

  8. CMMI(Registered) for Services, Version 1.3

    DTIC Science & Technology

    2010-11-01

    Norimatsu, Norimatsu Process Engineering Lab, Inc. Mary Lynn Penn, Lockheed Martin Corporation David (Mike) Phillips , Software Engineering Institute...CMMI ® for Services, Version 1.3 CMMI-SVC, V1.3 CMMI Product Team Improving processes for providing better services November 2010...TECHNICAL REPORT CMU/SEI-2010-TR-034 ESC-TR-2010-034 Software Engineering Process Management Program Unlimited distribution subject to the

  9. CMMI(Registered) for Development, Version 1.3

    DTIC Science & Technology

    2010-11-01

    Engineering Institute So Norimatsu, Norimatsu Process Engineering Lab, Inc. Mary Lynn Penn, Lockheed Martin Corporation David (Mike) Phillips , Software...CMMI ® for Development, Version 1.3 CMMI-DEV, V1.3 CMMI Product Team Improving processes for developing better products and services...November 2010 TECHNICAL REPORT CMU/SEI-2010-TR-033 ESC-TR-2010-033 Software Engineering Process Management Program Unlimited distribution

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. Synthesis and pharmacological properties of benzothiazole, 1,3-4-oxadiazole and 1,3,4-thiadiazole derivatives.

    PubMed

    Santagati, M; Modica, M; Santagati, A; Russo, F; Caruso, A; Cutuli, V; Di Pietro, E; Amico-Roxas, M

    1994-12-01

    The reaction of the 2-amino-substituted 1,3,4-oxadiazoles 9, 10 and the benzothiazoles 11, 12 with ethyl cyanoacetate is described. The obtained cyanoacetamide derivatives 13-16 gave the benzylidene derivatives 18-21 by condensation with benzaldehyde. 2-Phenyl-5-amino-1,3,4-oxadiazolo[3,2-a]pyrimidin-7-one (17) was also obtained. Moreover, the preparation of 6,7,8,9-tetraydro-5H-1,3,4-thiadiazolo[2,3-b]quinazolin++ +-5-thio-derivatives 22-25 and N-(1,3,4-thiadiazol-2-yl-5-substituted)-3,4-5,6-tetrahydro-anthran ilic acids 26-29 is also described. All above compounds and compounds, related to them, 1-8 were tested for their analgesic and antiinflammatory activities and the pharmacological screening results are reported and discussed.

  19. 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

  20. 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

  1. 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.

  2. 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

  3. 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

  4. 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…

  5. 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

  6. 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.

  7. 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

  8. 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

  9. 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.

  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. 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.

  12. 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

  13. 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...

  14. 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...

  15. 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...

  16. 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...

  17. 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...

  18. 29 CFR 1910.1051 - 1,3-Butadiene.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...,3-Butadiene. (a) Scope and application. (1) This section applies to all occupational exposures to 1... enter a regulated area. 1,3-Butadiene means an organic compound with chemical formula CH2=CH-CH=CH2 that... equipped with approved BD or organic vapor cartridges or canisters. Cartridges or canisters shall...

  19. 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.

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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.

  5. 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....

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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.

  11. 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.

  12. Problem Definition Study on 1,3-Dinitrobenzene, 1,3,5-Trinitrobenzene and Di-n-Propyl Adipate

    DTIC Science & Technology

    1979-11-01

    velocity in rats were studied by Pankow et ai. (1974) and Pankow et aZ. (1975). Male outbred albino rats, about 70 days old and weighing approximately...investigated the toxicity of 1,3,5- trinitrobenzene to rats. For the study, male albino rats, weighing between 100 and 170 grams, received 5% w/v 1,3,5...nitroaromatic compounds ’ teas ted, t*h..s, -,d iic a rir tha ,, -initro’enzene was i--ore readily reduced than other nitroaromatic compounds. Chambers

  13. 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.

  14. AGARD Flight Test Techniques Series. Volume 18. Flight Testing of Radio Navigation Systems. (Les Essais en Vol des Systemes de Radionavigation)

    DTIC Science & Technology

    2000-04-01

    Space Administration SCIENTIFIC & TECHNICAL INFORMATION RTO-AG-300 Vol. 18 AC/323(SCI)TP/26 NORTH ATLANTIC TREATY ORGANIZATION I- 0 o RESEARCH AND... 18 Flight Testing of Radio Navigation Systems (les Essais en vol des systemes de radionavigation) This AGARDograph has been sponsored by the Systems...TO: Recipients of AG-300 Vol. 18 FROM: Executive, Information Policy and Publications SUBJECT: AG-300, Vol 18 , pages A-1, A-2 and A-3 We regret that

  15. 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.

  16. [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.

  17. 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

  18. 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

  19. 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.

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

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... specifications in § 173.220(a) of this chapter. (b) It is intended for use in swine feed as a source of energy. (c) It is to be thoroughly mixed into feed at levels not to exceed 9 percent of the dry matter of the total ration. (d) 1,3-Butylene glycol should be mixed in feed with equipment adapted for the addition...

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

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... specifications in § 173.220(a) of this chapter. (b) It is intended for use in swine feed as a source of energy. (c) It is to be thoroughly mixed into feed at levels not to exceed 9 percent of the dry matter of the total ration. (d) 1,3-Butylene glycol should be mixed in feed with equipment adapted for the addition...

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  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. 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.

  8. 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

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  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. 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.

  6. 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.

  7. 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.

  8. 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}.

  9. 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

  10. 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

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. Combustion of Hazard Division 1.3 M1 Gun Propellant in a Reinforced Concrete Structure

    DTIC Science & Technology

    2015-08-01

    II-A-1 II-B. HD1.3 Test 1. Temperature and Flux Data ...............................................II-B-1 II-C. HD1.3 Test 1. High-Speed Camera...HD1.3 Test 2. IR and High-Speed Camera Coverage (See DVD) ......... III-B-1 III-C. HD1.3 Test 2. Temperature and Thermal Flux Data...IV-A-1 IV-B. HD1.3 Test 3. Temperature and Flux Data .......................................... IV-B-1 IV-C. HD1.3 Test 3. Infrared Images

  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. 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.

  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. 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...

  13. 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.

  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 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.

  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. 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.

  18. 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.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  20. 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

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  1. 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.

  2. 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.

  3. 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 ...

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  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, 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...

  12. 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...

  13. 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...

  14. 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,...

  15. 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,...

  16. 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,...

  17. 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,...

  18. 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,...

  19. 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...

  20. 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...

  1. 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...

  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...

  3. 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...

  4. 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...

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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,...

  10. 21 CFR 177.1345 - Ethylene/1,3-phenylene oxyethylene isophthalate/ terephthalate copolymer.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 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... polymers complying with § 177.1630. (a) Identity. For the purpose of this section,...

  11. 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...

  12. 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,...

  13. 'tomo_display' and 'vol_tools': IDL VM Packages for Tomography Data Reconstruction, Processing, and Visualization

    NASA Astrophysics Data System (ADS)

    Rivers, M. L.; Gualda, G. A.

    2009-05-01

    One of the challenges in tomography is the availability of suitable software for image processing and analysis in 3D. We present here 'tomo_display' and 'vol_tools', two packages created in IDL that enable reconstruction, processing, and visualization of tomographic data. They complement in many ways the capabilities offered by Blob3D (Ketcham 2005 - Geosphere, 1: 32-41, DOI: 10.1130/GES00001.1) and, in combination, allow users without programming knowledge to perform all steps necessary to obtain qualitative and quantitative information using tomographic data. The package 'tomo_display' was created and is maintained by Mark Rivers. It allows the user to: (1) preprocess and reconstruct parallel beam tomographic data, including removal of anomalous pixels, ring artifact reduction, and automated determination of the rotation center, (2) visualization of both raw and reconstructed data, either as individual frames, or as a series of sequential frames. The package 'vol_tools' consists of a series of small programs created and maintained by Guilherme Gualda to perform specific tasks not included in other packages. Existing modules include simple tools for cropping volumes, generating histograms of intensity, sample volume measurement (useful for porous samples like pumice), and computation of volume differences (for differential absorption tomography). The module 'vol_animate' can be used to generate 3D animations using rendered isosurfaces around objects. Both packages use the same NetCDF format '.volume' files created using code written by Mark Rivers. Currently, only 16-bit integer volumes are created and read by the packages, but floating point and 8-bit data can easily be stored in the NetCDF format as well. A simple GUI to convert sequences of tiffs into '.volume' files is available within 'vol_tools'. Both 'tomo_display' and 'vol_tools' include options to (1) generate onscreen output that allows for dynamic visualization in 3D, (2) save sequences of tiffs to disk

  14. GEMINI MULTI-OBJECT SPECTROGRAPH SPECTROSCOPY OF EXO 0748-676 (=UY Vol) IN OUTBURST

    SciTech Connect

    Mikles, Valerie J.; Hynes, Robert I. E-mail: rih@phys.lsu.edu

    2012-05-10

    We present a phase-resolved, optical, spectroscopic study of the eclipsing low-mass X-ray binary, EXO 0748-676 = UY Vol. The sensitivity of Gemini, combined with our complete phase coverage, makes for the most detailed blue spectroscopic study of this source obtained during its extended 24 year period of activity. We identify 12 optical emission lines and present trailed spectra, tomograms, and the first modulation maps of this source in outburst. The strongest line emission originates downstream of the stream-impact point, and this component is quite variable from night to night. Underlying this is weaker, more stable axisymmetric emission from the accretion disk. We identify weak, sharp emission components moving in phase with the donor star, from which we measure K{sub em} = 329 {+-} 26 km s{sup -1}. Combining all the available dynamical constraints on the motion of the donor star with our observed accretion disk velocities, we favor a neutron star mass close to canonical (M{sub 1} {approx_equal} 1.5 M{sub Sun }) and a very low mass donor (M{sub 2} {approx_equal} 0.1 M{sub Sun }). We note, however, that there is no evidence for CNO processing, which is often associated with undermassive donor stars. A main-sequence donor would require both a neutron star more massive than 2 M{sub Sun }, and substantially sub-Keplerian disk emission.

  15. Solidification of Magnesium (AM50A) / vol%. SiCp composite

    NASA Astrophysics Data System (ADS)

    Zhang, X.; Hu, H.

    2012-01-01

    Magnesium matrix composite is one of the advanced lightweight materials with high potential to be used in automotive and aircraft industries due to its low density and high specific mechanical properties. The magnesium composites can be fabricated by adding the reinforcements of fibers or/and particles. In the previous literature, extensive studies have been performed on the development of matrix grain structure of aluminum-based metal matrix composites. However, there is limited information available on the development of grain structure during the solidification of particulate-reinforced magnesium. In this work, a 5 vol.% SiCp particulate-reinforced magnesium (AM50A) matrix composite (AM50A/SiCp) was prepared by stir casting. The solidification behavior of the cast AM50A/SiCp composite was investigated by computer-based thermal analysis. Optical and scanning electron microscopies (SEM) were employed to examine the occurrence of nucleation and grain refinement involved. The results indicate that the addition of SiCp particulates leads to a finer grain structure in the composite compared with the matrix alloy. The refinement of grain structure should be attributed to both the heterogeneous nucleation and the restricted primary crystal growth.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 1,3-dichloropropene distribution and emission after gelatin capsule formulation application.

    PubMed

    Wang, Qiuxia; Tang, Jueting; Wei, Shouhui; Wang, Fangyan; Yan, Dongdong; Mao, Liangang; Guo, Meixia; Cao, Aocheng

    2010-01-13

    The gelatin capsule (gel cap) formulation of 1,3-dichloropropene (1,3-D) was developed as a potential means of reducing 1,3-D emissions. The objective of this study was to determine the distribution, emission, and leaching of 1,3-D after applying the gel cap in soil columns. Comparable 1,3-D soil gas concentrations were obtained between a conventional liquid injection control and the gel cap application with film treatment. When the soil surface was irrigated with 39.6 mm water per day during the first 4 days, 1,3-D soil gas concentration was higher than the film treatments at depths below 20 cm, but lower concentrations were observed at 0-15 cm depth. The application of 1,3-D gel cap relatively reduced total 1,3-D emission by about 41% compared to liquid injection with film cover, and total 1,3-D emission was only 0.13% for 1,3-D gel cap application with 4 days of irrigation without a tarp. The results indicated that 1,3-D gel cap could be a promising new technology for reducing environmental emissions and potential human exposure.

  4. 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.

  5. 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...

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. A method for measuring enthalpy of volatilization of a compound, Delta(vol)H, from dilute aqueous solution.

    PubMed

    Wang, Tianshu

    2006-01-01

    This study has developed a method for measuring the enthalpy of volatilization (Delta(vol)H) of a compound in a dilute solution via ion-molecule reactions and gas-phase analysis using selected ion flow tube mass spectrometry (SIFT-MS). The Delta(vol)H/R value was obtained using an equation with three variant forms either from the headspace concentration of the solution or from individual product ion(s). Under certain experimental conditions, the equation has the simplest form [formula: see text], where R is the gas constant (8.314 J . mol(-1) . K(-1)), i(n) and I are the respective product and precursor ion count rates, and T is the temperature of the solution. As an example, a series of 27.0 micromol/L aqueous solutions of acetone was analyzed over a temperature range of 25-50 degrees C at 5 degrees C intervals using H3O+, NO+ and O2+* precursor ions, producing a mean Delta(vol)H/R value of 4700 +/- 200 K. This corresponds with current literature values and supports the consistency of the new method. Notably, using this method, as long as the concentration of the solution falls into the range of Henry's law, the exact concentration does not have to be known and it can require only one sample at each temperature. Compared with previous methods which involve the measurement of Henry's law constant at each temperature, this method significantly reduces the number of samples required and avoids the labour and difficulties in preparing standard solutions at very low concentrations. Further to this, if the contents of a solution were unknown the measured Delta(vol)H/R from individual product ion(s) can help to identify the origin of the ion(s).

  15. 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.

  16. Effect of sintering temperature and time intervals on morphological and hardness behaviour of Al-20 vol% Sn matrix composites

    NASA Astrophysics Data System (ADS)

    Badarulzaman, N. A.; Karim, S. R.; Lajis, M. A.

    2015-05-01

    Aluminium (Al) alloys are widely used in various industries, such as automotive and aerospace. The production processes in these sectors create large amount of Al residues. In this paper, a new method of recycling Al chip is presented. Metal matrix composite (MMCs) of Al-20 vol% Sn was prepared by using solid state direct conversion method of recycled Al 6061 alloy. Constant pressure (10 ton) was used to implement the cold forging process. The differences of sintering temperature (200 °C, 250 °C, 300 °C and 350 °C) and time intervals (1h, 2h, 3h, 4h and 5h) were studied to obtain the optimum hardness, strength and surface integrity of Al-20 vol% Sn. The results showed that, hardness and strength of Al-20 vol% Sn was decreased by additional temperature and increase with time interval of sintering. Sintering temperature at 350 °C produces better morphology structure of Al-Sn composites.

  17. The magnetic properties of in-situ formed Cu-20 vol % Fe multifilamentary composites

    SciTech Connect

    Shey, D.F.

    1990-02-01

    Useful permanent magnet (PM) properties are produced in Cu--20 vol % Fe alloys by casting in a water-cooled mold, heat treating at high temperatures followed by slow furnace cooling to room temperature and swaging and drawing to high deformations. These useful properties are produced by the bcc Fe filaments encased in the Cu matrix. Wires which had undergone deformations, {eta}, equal to 9.14, 10.18, 11.23, 12.17 and 13.38 were tested. The PM properties of interest in this investigation are the saturation magnetization, M{sub s}, the remanence ratio, M{sub r}/M{sub s}, and the intrinsic coercivity, H{sub ci}. All calculations and comparable literature show the Fe filaments in all wire sizes to be single domain. Their extremely high axial ratios produce the observed H{sub ci}, due to shape anisotropy. The H{sub ci} of as-drawn wire is relatively low compared with other single domain particle magnets; however, a low temperature anneal produces anomalous increases in the H{sub ci}. In wires which had undergone deformations, {eta} = 13.38, and were optimally annealed, a H{sub ci} of 945 Oersteds was observed. Highly elongated filaments with a high surface to volume ratio, seem to produce the highest intrinsic coercivities. The best explanation for this anomalous increase is the relief of residual stress. The M{sub s} values observed are fairly well understood; however, suggestions can only be used to explain the observed M{sub r}/M{sub s} values. 62 refs., 23 figs., 10 tabs.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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...

  8. 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...

  9. 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.

  10. MAPK1/3 regulate hepatic lipid metabolism via ATG7-dependent autophagy.

    PubMed

    Xiao, Yuzhong; Liu, Hao; Yu, Junjie; Zhao, Zilong; Xiao, Fei; Xia, Tingting; Wang, Chunxia; Li, Kai; Deng, Jiali; Guo, Yajie; Chen, Shanghai; Chen, Yan; Guo, Feifan

    2016-01-01

    Although many biological functions of MAPK1/ERK2-MAPK3/ERK1 (mitogen-activated protein kinase 1/3) have been reported, a direct effect of MAPK1/3 on hepatic lipid metabolism remains largely unknown. We recently showed that activation of MAPK1/3 ameliorates liver steatosis in LEPR (leptin receptor)-deficient (db/db) mice, a classic animal model for liver steatosis. Consistent with these results, knockdown of MAPK1/3 promotes liver steatosis in C57/B6J wild-type (WT) mice. Autophagic flux and ATG7 (autophagy related 7) levels are increased by MAPK1/3 activation or decreased by MAPK1/3 knockdown in livers and primary hepatocytes. Blockade of autophagic flux by chloroquine (CQ) or ATG7 knockdown reverses the ameliorated liver steatosis in MAPK1/3-activated db/db mice. Together, these findings identify a beneficial role for MAPK1/3 in liver steatosis that is mediated by ATG7-dependent autophagy, which provides novel insights into the mechanisms underlying liver steatosis and create a rationale for targeting MAPK1/3 in the treatment of liver steatosis.

  11. 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.

  12. 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

  13. 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.

  14. 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

  15. Tabulations of Responses from the 2000 Survey of Reserve Component Personnel: Vol. 1. Military Background

    DTIC Science & Technology

    2002-08-01

    data to create the single measure of program used in Tables 43/45/165.1-3. (The same measure of program is also one of five variables by which most...Achieving Training Objectives -- Quality of Personnel in Lower-Grade Drill Positions: By Reserve Component...46m.2 Problem for Unit/Organization in Achieving Training Objectives -- Quality of Personnel in Lower-Grade Drill Positions

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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).

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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)

  9. 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.

  10. Beta-1,3-glucan1,3-glucan, a druggable target, forms a trabecular scaffold in the oocyst walls of Toxoplasma and Eimeria

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  11. 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.

  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, 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,...

  14. 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,...

  15. Effects of organic amendment on degradation of 1,3-dichloropropene and chloropicrin in soil

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  16. 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...

  17. 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...

  18. 40 CFR 721.6175 - 2-Piperdinone, 1,3-dimethyl-,.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.6175 2-Piperdinone, 1,3-dimethyl-,. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 2-Piperdinone, 1,3-dimethyl-, (PMN...

  19. 40 CFR 721.6175 - 2-Piperdinone, 1,3-dimethyl-,.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.6175 2-Piperdinone, 1,3-dimethyl-,. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 2-Piperdinone, 1,3-dimethyl-, (PMN...

  20. 40 CFR 721.6175 - 2-Piperdinone, 1,3-dimethyl-,.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.6175 2-Piperdinone, 1,3-dimethyl-,. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 2-Piperdinone, 1,3-dimethyl-, (PMN...

  1. 40 CFR 721.6175 - 2-Piperdinone, 1,3-dimethyl-,.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.6175 2-Piperdinone, 1,3-dimethyl-,. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified as 2-Piperdinone, 1,3-dimethyl-, (PMN...

  2. 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

  3. 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

  4. 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.

  5. Surface application of biochar to reduce emissions of 1,3-dichloropropene

    Technology Transfer Automated Retrieval System (TEKTRAN)

    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...

  6. 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.

  7. 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...

  8. [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.

  9. 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...

  10. 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...

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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

  17. 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.

  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. 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].

  20. 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.

  1. [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.

  2. 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

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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).

  11. 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.

  12. 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.

  13. 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.

  14. 1,3-Propanediol production by Escherichia coli expressing genes from the Klebsiella pneumoniae dha regulon

    SciTech Connect

    I-Teh Tong; Hans H. Liao; Cameron, D.C. )

    1991-12-01

    The dha regulon in Klebsiella pneumoniae enables the organism to grown anaerobically on glycerol and produce 1,3-propanediol (1,3-PD). Escherichia coli, which does not have a dha system, is unable to grow anaerobically on glycerol without an exogenous electron acceptor and does not produce 1,3-PD. A genomic library of K. pneumoniae ATCC 25955 constructed in E. coli AG1 was enriched for the ability to grow anaerobically on glycerol and dihydoxyacetone and was screened for the production of 1, 3-PD. The cosmid pTC1 (42.5 kn total with an 18.2-kb major insert) was isolated from a 1,3-PD-producing strain of E. coli and found to possess enzymatic activities associated with four genes of the dha regulon: glycersol dehydratase (dhaB), 1,3-PD oxidoreductase (dhaT), glycerol dehydrogenase (dhaD), and dihydroxyacetone kinase (dhaK). All four activities were inducible by the presence of glycerol. When E. coli AG1/pTC1 was grown on complex medium plus glycerol, the yield of 1, 3-PD from glycerol was 0.46 mol/mol. The major fermentation by-products were formate, acetate, and D-lactate. 1,3-PD is an intermediate in organic synthesis and polymer production. The 1,3-PD fermentation provides a useful model system for studying the interaction of a biochemical pathway in a foreign host and for developing strategies for metabolic pathway engineering.

  15. Glutathione transferases and glutathionylated hemoglobin in workers exposed to low doses of 1,3-butadiene.

    PubMed

    Primavera, Alessandra; Fustinoni, Silvia; Biroccio, Antonino; Ballerini, Sabrina; Urbani, Andrea; Bernardini, Sergio; Federici, Giorgio; Capucci, Enrico; Manno, Maurizio; Lo Bello, Mario

    2008-11-01

    We evaluated glutathione transferase (GST) activities and the levels of glutathionylated hemoglobin in the RBC of 42 workers exposed to 1,3-butadiene in a petrochemical plant, using 43 workers not exposed to 1,3-butadiene and 82 foresters as internal and external controls, respectively. Median 1,3-butadiene exposure levels were 1.5, 0.4, and 0.1 microg/m3 in 1,3-butadiene-exposed workers, in workers not directly exposed to 1,3-butadiene, and in foresters, respectively. In addition, we determined in the peripheral blood lymphocytes of the same individuals the presence of GST polymorphic genes GSTT1 and GSTM1 and the distribution of GSTP1 allelic variants. Comparing the mean values observed in petrochemical workers with those of control foresters, we found a marked decrease of GST enzymatic activity and a significant increase of glutathionylated hemoglobin in the petrochemical workers. A weak but significant negative correlation was found between levels of 1,3-butadiene exposure and GST activity, whereas a positive correlation was found between 1,3-butadiene exposure and glutathionylated hemoglobin. A negative correlation was also observed between GST activity and glutathionylated hemoglobin. No influence of confounders was observed. Using a multiple linear regression model, up to 50.6% and 41.9% of the variability observed in glutathionylated hemoglobin and GST activity, respectively, were explained by 1,3-butadiene exposure, working setting, and GSTT1 genotype. These results indicate that occupational exposure to 1,3-butadiene induces an oxidative stress that impairs the GST balance in RBC, and suggest that GST activity and glutathionylated hemoglobin could be recommended as promising biomarkers of effect in petrochemical workers.

  16. Nuclear localization and functional characteristics of voltage-gated potassium channel Kv1.3.

    PubMed

    Jang, Soo Hwa; Byun, Jun Kyu; Jeon, Won-Il; Choi, Seon Young; Park, Jin; Lee, Bo Hyung; Yang, Ji Eun; Park, Jin Bong; O'Grady, Scott M; Kim, Dae-Yong; Ryu, Pan Dong; Joo, Sang-Woo; Lee, So Yeong

    2015-05-15

    It is widely known that ion channels are expressed in the plasma membrane. However, a few studies have suggested that several ion channels including voltage-gated K(+) (Kv) channels also exist in intracellular organelles where they are involved in the biochemical events associated with cell signaling. In the present study, Western blot analysis using fractionated protein clearly indicates that Kv1.3 channels are expressed in the nuclei of MCF7, A549, and SNU-484 cancer cells and human brain tissues. In addition, Kv1.3 is located in the plasma membrane and the nucleus of Jurkat T cells. Nuclear membrane hyperpolarization after treatment with margatoxin (MgTX), a specific blocker of Kv1.3 channels, provides evidence for functional channels at the nuclear membrane of A549 cells. MgTX-induced hyperpolarization is abolished in the nuclei of Kv1.3 silenced cells, and the effects of MgTX are dependent on the magnitude of the K(+) gradient across the nuclear membrane. Selective Kv1.3 blockers induce the phosphorylation of cAMP response element-binding protein (CREB) and c-Fos activation. Moreover, Kv1.3 is shown to form a complex with the upstream binding factor 1 in the nucleus. Chromatin immunoprecipitation assay reveals that Sp1 transcription factor is directly bound to the promoter region of the Kv1.3 gene, and the Sp1 regulates Kv1.3 expression in the nucleus of A549 cells. These results demonstrate that Kv1.3 channels are primarily localized in the nucleus of several types of cancer cells and human brain tissues where they are capable of regulating nuclear membrane potential and activation of transcription factors, such as phosphorylated CREB and c-Fos.

  17. Nuclear Localization and Functional Characteristics of Voltage-gated Potassium Channel Kv1.3*

    PubMed Central

    Jang, Soo Hwa; Byun, Jun Kyu; Jeon, Won-Il; Choi, Seon Young; Park, Jin; Lee, Bo Hyung; Yang, Ji Eun; Park, Jin Bong; O'Grady, Scott M.; Kim, Dae-Yong; Ryu, Pan Dong; Joo, Sang-Woo; Lee, So Yeong

    2015-01-01

    It is widely known that ion channels are expressed in the plasma membrane. However, a few studies have suggested that several ion channels including voltage-gated K+ (Kv) channels also exist in intracellular organelles where they are involved in the biochemical events associated with cell signaling. In the present study, Western blot analysis using fractionated protein clearly indicates that Kv1.3 channels are expressed in the nuclei of MCF7, A549, and SNU-484 cancer cells and human brain tissues. In addition, Kv1.3 is located in the plasma membrane and the nucleus of Jurkat T cells. Nuclear membrane hyperpolarization after treatment with margatoxin (MgTX), a specific blocker of Kv1.3 channels, provides evidence for functional channels at the nuclear membrane of A549 cells. MgTX-induced hyperpolarization is abolished in the nuclei of Kv1.3 silenced cells, and the effects of MgTX are dependent on the magnitude of the K+ gradient across the nuclear membrane. Selective Kv1.3 blockers induce the phosphorylation of cAMP response element-binding protein (CREB) and c-Fos activation. Moreover, Kv1.3 is shown to form a complex with the upstream binding factor 1 in the nucleus. Chromatin immunoprecipitation assay reveals that Sp1 transcription factor is directly bound to the promoter region of the Kv1.3 gene, and the Sp1 regulates Kv1.3 expression in the nucleus of A549 cells. These results demonstrate that Kv1.3 channels are primarily localized in the nucleus of several types of cancer cells and human brain tissues where they are capable of regulating nuclear membrane potential and activation of transcription factors, such as phosphorylated CREB and c-Fos. PMID:25829491

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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).

  4. 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.

  5. 1,3-Propanediol production by new recombinant Escherichia coli containing genes from pathogenic bacteria.

    PubMed

    Przystałowska, Hanna; Zeyland, Joanna; Szymanowska-Powałowska, Daria; Szalata, Marlena; Słomski, Ryszard; Lipiński, Daniel

    2015-02-01

    1,3-Propanediol (1,3-PDO) is an organic compound, which is a valuable intermediate product, widely used as a monomer for synthesizing biodegradable polymers, increasing their strength; as well as an ingredient of textile, cosmetic and medical products. 1,3-PDO is mostly synthesized chemically. Global companies have developed technologies for 1,3-PDO synthesis from petroleum products such as acrolein and ethylene oxide. A potentially viable alternative is offered by biotechnological processes using microorganisms capable of synthesizing 1,3-PDO from renewable substrates (waste glycerol, a by-product of biofuel production, or glucose). In the present study, genes from Citrobacter freundii and Klebsiella pneumoniae were introduced into Escherichia coli bacteria to enable the synthesis of 1,3-PDO from waste glycerol. These strains belong to the best 1,3-PDO producers, but they are pathogenic, which restricts their application in industrial processes. The present study involved the construction of two gene expression constructs, containing a total of six heterologous glycerol catabolism pathway genes from C. freundii ATCC 8090 and K. pneumoniae ATCC 700721. Heterologous genes encoding glycerol dehydratase (dhaBCE) and the glycerol dehydratase reactivation factor (dhaF, dhaG) from C. freundii and gene encoding 1,3-PDO oxidoreductase (dhaT) from K. pneumoniae were expressed in E. coli under the control of the T7lac promoter. An RT-PCR analysis and overexpression confirmed that 1,3-PDO synthesis pathway genes were expressed on the RNA and protein levels. In batch fermentation, recombinant E. coli bacteria used 32.6gl(-1) of glycerol to produce 10.6 gl(-1) of 1,3-PDO, attaining the efficiency of 0.4 (mol₁,₃-PDO molglycerol(-1)). The recombinant E. coli created is capable of metabolizing glycerol to produce 1,3-PDO, and the efficiency achieved provides a significant research potential of the bacterium. In the face of shortage of fossil fuel supplies and climate warming

  6. Cosubstrate independent mineralization of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) by a Desulfovibrio species under anaerobic conditions.

    PubMed

    Arnett, Clint M; Adrian, Neal R

    2009-02-01

    Past handling practices associated with the manufacturing and processing of the high explosive hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) has resulted in extensive environmental contamination. In-situ biodegradation is a promising technology for remediating RDX contaminated sites but often relies on the addition of a cosubstrate. A sulfate-reducing bacterium isolated from an RDX-degrading enrichment culture was studied for its ability to grow on RDX as a sole source of carbon and nitrogen and for its ability to mineralize RDX in the absence of a cosubstrate. The results showed the isolate degraded 140 muM RDX in 63 days when grown on RDX as a carbon source. Biomass within the carbon limited culture increased 9-fold compared to the RDX unamended controls. When the isolate was incubated with RDX as sole source of nitrogen it degraded 160 muM RDX in 41 days and exhibited a 4-fold increase in biomass compared to RDX unamended controls. Radiolabeled studies under carbon limiting conditions with (14)C-hexahydro-1,3,5-trinitro-1,3,5-triazine confirmed mineralization of the cyclic nitramine. After 60 days incubation 26% of the radiolabel was recovered as (14)CO(2), while in the control bottles less than 1% of the radiolabel was recovered as (14)CO(2). Additionally, approximately 2% of the radiolabeled carbon was found to be associated with the biomass. The 16S rDNA gene was sequenced and identified the isolate as a novel species of Desulfovibrio, having a 95.1% sequence similarity to Desulfovibrio desulfuricans. This is the first known anaerobic bacterium capable of mineralizing RDX when using it as a carbon and energy source for growth.

  7. Synthesis and antitumor activities of novel hybrid molecules containing 1,3,4-oxadiazole and 1,3,4-thiadiazole bearing Schiff base moiety.

    PubMed

    Zhang, Kai; Wang, Peng; Xuan, Li-Na; Fu, Xiao-Yun; Jing, Fen; Li, Sha; Liu, Yu-Ming; Chen, Bao-Quan

    2014-11-15

    A series of novel hybrid molecules containing 1,3,4-oxadiazole and 1,3,4-thiadiazole bearing Schiff base moiety were designed, synthesized and evaluated for their in vitro antitumor activities against SMMC-7721, MCF-7 and A549 human tumor cell lines by CCK-8 assay. The bioassay results demonstrated that most of the tested compounds showed potent antitumor activities, and some compounds exhibited stronger effects than positive control 5-fluorouracil (5-FU) against various cell lines. Among these compounds, compound 8d showed the best inhibitory effect against SMMC-7721 cells, with IC50 value of 2.84 μM. Compounds 8k and 8 n displayed highly effective antitumor activities against MCF-7 cells, with IC50 values of 4.56 and 4.25 μM, respectively. Compounds 8a and 8 n exhibited significant antiproliferative activity against A549 cells, with IC50 values of 4.11 and 4.13 μM, respectively. The pharmacological results suggest that the substituents of phenyl ring on the 1,3,4-oxadiazole are vital for modulating antiproliferative activities against various tumor cell lines.

  8. Dose equations for shift-variant CT acquisition modes using variable pitch, tube current, and aperture, and the meaning of their associated CTDI{sub vol}

    SciTech Connect

    Dixon, Robert L.; Boone, John M.; Kraft, Robert A.

    2014-11-01

    Purpose: With the increasing clinical use of shift-variant CT protocols involving tube current modulation (TCM), variable pitch or pitch modulation (PM), and variable aperture a(t), the interpretation of the scanner-reported CTDI{sub vol} is called into question. This was addressed for TCM in their previous paper published by Dixon and Boone [Med. Phys. 40, 111920 (14pp.) (2013)] and is extended to PM and concurrent TCM/PM as well as variable aperture in this work. Methods: Rigorous convolution equations are derived to describe the accumulated dose distributions for TCM, PM, and concurrent TCM/PM. A comparison with scanner-reported CTDI{sub vol} formulae clearly identifies the source of their differences with the traditional CTDI{sub vol}. Dose distribution simulations using the convolution are provided for a variety of TCM and PM scenarios including a helical shuttle used for perfusion studies (as well as constant mA)—all having the same scanner-reported CTDI{sub vol}. These new convolution simulations for TCM are validated by comparison with their previous discrete summations. Results: These equations show that PM is equivalent to TCM if the pitch variation p(z) is proportional to 1/i(z), where i(z) is the local tube current. The simulations show that the local dose at z depends only weakly on the local tube current i(z) or local pitch p(z) due to scatter from all other locations along z, and that the “local CTDI{sub vol}(z)” or “CTDI{sub vol} per slice” do not represent a local dose but rather only a relative i(z) or p(z). The CTDI-paradigm does not apply to shift-variant techniques and the scanner-reported CTDI{sub vol} for the same lacks physical significance and relevance. Conclusions: While the traditional CTDI{sub vol} at constant tube current and pitch conveys useful information (the peak dose at the center of the scan length), CTDI{sub vol} for shift-variant techniques (TCM or PM) conveys no useful information about the associated dose

  9. 43 CFR 3802.1-3 - Operations existing on October 21, 1976.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...) BUREAU OF LAND MANAGEMENT, DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) MINING CLAIMS UNDER THE GENERAL MINING LAWS Exploration and Mining, Wilderness Review Program § 3802.1-3 Operations existing...

  10. Synthesis, Urease Inhibition, Antioxidant, Antibacterial, and Molecular Docking Studies of 1,3,4-Oxadiazole Derivatives

    PubMed Central

    Hanif, Muhammad; Shoaib, Khurram; Saleem, Muhammad; Hasan Rama, Nasim; Zaib, Sumera; Iqbal, Jamshed

    2012-01-01

    A series of eighteen 1,3,4-oxadiazole derivatives have been synthesized by treating aromatic acid hydrazides with carbon disulfide in ethanolic potassium hydroxide yielding potassium salts of 1,3,4-oxadiazoles. Upon neutralization with 1 N hydrochloric acid yielded crude crystals of 1,3,4-oxadiazoles, which were purified by recrystallization in boiling methanol. The synthesized 1,3,4-oxadiazoles derivatives were evaluated in vitro for their urease inhibitory activities, most of the investigated compounds were potent inhibitors of Jack bean urease. The molecular docking studies were performed by docking them into the crystal structure of Jack bean urease to observe the mode of interaction of synthesized compounds. The synthesized compounds were also tested for antibacterial and antioxidant activities and some derivatives exhibited very promising results. PMID:22934191

  11. Thermal 1,3-dipolar cycloaddition reaction of azomethine imines with active esters.

    PubMed

    He, Liwenze; Liu, Lin; Han, Runfeng; Zhang, Weiwei; Xie, Xingang; She, Xuegong

    2016-07-12

    An efficient method for the 1,3-dipolar cycloaddition of azomethine imines with active esters under thermal conditions has been described in good to high yields. This method offers a straightforward pathway to synthesize bioactive pyrazolidinones.

  12. Porcine dermal lesions produced by 1.3um laser pulses

    NASA Astrophysics Data System (ADS)

    Johnson, Thomas E.; Winston, Golda C. H.; Burton, Margaret B.; Greene, Willie L.

    2003-07-01

    An increasing number of industries, to include military, medicinal, and technological arenas, are using 1.3 micron laser systems for which current skin and eye guidelines are identical. No skin threshold, ED50 or exposure data are available. The mechanisms of laser-tissue interaction with skin at 1.3 microns are unknown. Together, these facts necessitate increased research to prevent future laser accidents and injuries. This study examines the method of interaction of 1.3 microns laser light with tissue in the Yorkshire pig. Our research addresses laser-tissue interaction through delivery using a Nd:YAG with an intracavity filter producing 1.3 micron light at 0.5 millisecond exposure time and in the range of 137 to 475 J/cm2. Laser exposure to Yorkshire pigs was evaluated for dermal lesion development. Lesions were appraised for acute, one-hour and 24-hour post exposure presentation.

  13. 37 CFR 1.3 - Business to be conducted with decorum and courtesy.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... General Information and Correspondence § 1.3 Business to be conducted with decorum and courtesy... provided. Complaints against examiners and other employees must be made in correspondence separate...

  14. 37 CFR 1.3 - Business to be conducted with decorum and courtesy.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... General Information and Correspondence § 1.3 Business to be conducted with decorum and courtesy... provided. Complaints against examiners and other employees must be made in correspondence separate...

  15. 37 CFR 1.3 - Business to be conducted with decorum and courtesy.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... General Information and Correspondence § 1.3 Business to be conducted with decorum and courtesy... provided. Complaints against examiners and other employees must be made in correspondence separate...

  16. 37 CFR 1.3 - Business to be conducted with decorum and courtesy.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... General Information and Correspondence § 1.3 Business to be conducted with decorum and courtesy... provided. Complaints against examiners and other employees must be made in correspondence separate...

  17. 37 CFR 1.3 - Business to be conducted with decorum and courtesy.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... General Information and Correspondence § 1.3 Business to be conducted with decorum and courtesy... provided. Complaints against examiners and other employees must be made in correspondence separate...

  18. Production of 1,3-propanediol from glycerol by Clostridium acetobutylicum and other Clostridium species

    SciTech Connect

    Forsberg, C.W.

    1987-04-01

    Glycerol was fermented with the production of 1,3-propanediol as the major fermentation product by four strains of Clostridium acetobutylicum, six of C. butylicum, two of C. beijerinckii, one of C. kainantoi, and three of C. butylicum. 1,3-Propanediol was identified by its retention times in gas chromatography and high-pressure liquid chromatography and by its mass spectrum. During growth of C. butylicum B593 in a chemostat culture at pH 6.5, 61% of the glycerol fermented was converted to 1,3-propanediol. When the pH was decreased to 4.9, growth and 1,3-propanediol production were substantially reduced.

  19. Toxins Targeting the Kv1.3 Channel: Potential Immunomodulators for Autoimmune Diseases.

    PubMed

    Zhao, Yipeng; Huang, Jie; Yuan, Xiaolu; Peng, Biwen; Liu, Wanhong; Han, Song; He, Xiaohua

    2015-05-19

    Autoimmune diseases are usually accompanied by tissue injury caused by autoantigen-specific T-cells. KV1.3 channels participate in modulating calcium signaling to induce T-cell proliferation, immune activation and cytokine production. Effector memory T (TEM)-cells, which play major roles in many autoimmune diseases, are controlled by blocking KV1.3 channels on the membrane. Toxins derived from animal venoms have been found to selectively target a variety of ion channels, including KV1.3. By blocking the KV1.3 channel, these toxins are able to suppress the activation and proliferation of TEM cells and may improve TEM cell-mediated autoimmune diseases, such as multiple sclerosis and type I diabetes mellitus.

  20. A Microring Resonator Sensor for Sensitive Detection of 1,3,5-Trinitrotoluene (TNT)

    PubMed Central

    Orghici, Rozalia; Lützow, Peter; Burgmeier, Jörg; Koch, Jan; Heidrich, Helmut; Schade, Wolfgang; Welschoff, Nina; Waldvogel, Siegfried

    2010-01-01

    A microring resonator sensor device for sensitive detection of the explosive 1,3,5-trinitrotoluene (TNT) is presented. It is based on the combination of a silicon microring resonator and tailored receptor molecules. PMID:22163576

  1. Chloropicrin and 1,3-D Fumigant Management Plan Phase 2 Templates

    EPA Pesticide Factsheets

    Plans for soil fumigant pesticide products that contain chloropicrin or 1,3-dichloropropene should include application block information, tarp plan, sign posting for treated area and buffer zone, and other requirements.

  2. A novel thin-layer chromatography method to screen 1,3-propanediol producers.

    PubMed

    Anand, Pinki; Saxena, Rajendra Kumar

    2012-11-01

    To date, there is no established protocol for the screening of 1,3-propanediol producers. The proposed method has a wide applicability to harness the commercial potential of microorganisms which produce 1,3-propanediol as the end product. Glycerol fermentation broth of 50 bacteria spotted on thin-layer chromatography plates and run by appropriate solvent systems followed by colour development using vanillin reagent gave different coloured spots with most of the compounds present in the fermentation broth. The appearance of a purple-coloured spot of 1,3-propanediol with a retention factor (R(f)) of 0.62 forms the basis for the selection of 1,3-propanediol producers. Apart from being a rapid detection system the proposed method is pH independent and its authenticity was reconfirmed by HPLC.

  3. Cyanobacterial production of 1,3-propanediol directly from carbon dioxide using a synthetic metabolic pathway.

    PubMed

    Hirokawa, Yasutaka; Maki, Yuki; Tatsuke, Tsuneyuki; Hanai, Taizo

    2016-03-01

    Production of chemicals directly from carbon dioxide using light energy is an attractive option for a sustainable future. The 1,3-propanediol (1,3-PDO) production directly from carbon dioxide was achieved by engineered Synechococcus elongatus PCC 7942 with a synthetic metabolic pathway. Glycerol dehydratase catalyzing the conversion of glycerol to 3-hydroxypropionaldehyde in a coenzyme B12-dependent manner worked in S. elongatus PCC 7942 without addition of vitamin B12, suggesting that the intrinsic pseudovitamin B12 served as a substitute of coenzyme B12. The highest titers of 1,3-PDO (3.79±0.23 mM; 288±17.7 mg/L) and glycerol (12.62±1.55 mM; 1.16±0.14 g/L), precursor of 1,3-PDO, were reached after 14 days of culture under optimized conditions in this study.

  4. Photochemical carbonylation of adamantanes; simple synthesis of 1,3,5,7-tetranitroadamantane

    SciTech Connect

    Bashir-Hashemi, A.; Li, J.; Gelber, N.

    1995-12-01

    1,3,5,7-Tetranitroadamantane (2) was obtained from the irradiation of a mixture of 1-adamantanecarboxylic acid (1) and oxalylchloride followed by conversion of chlorocarbonyl functions to nitro groups using the method of Eaton et. al.

  5. 19. MILL NO. 1, 3rd FLOOR, CEILING TRACKING WITH AIR ...

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

    19. MILL NO. 1, 3rd FLOOR, CEILING TRACKING WITH AIR CLEANER (BLEW DUST/LINT DOWNWARD WHILE TRAVELING ON TRACK OVER MILL MACHINERY). - Prattville Manufacturing Company, Number One, 242 South Court Street, Prattville, Autauga County, AL

  6. Fludarabine Inhibits KV1.3 Currents in Human B Lymphocytes

    PubMed Central

    de la Cruz, Alicia; Vera-Zambrano, Alba; Peraza, Diego A.; Valenzuela, Carmen; Zapata, Juan M.; Perez-Chacon, Gema; Gonzalez, Teresa

    2017-01-01

    Fludarabine (F-ara-A) is a purine analog commonly used in the treatment of indolent B cell malignancies that interferes with different aspects of DNA and RNA synthesis. KV1.3 K+ channels are membrane proteins involved in the maintenance of K+ homeostasis and the resting potential of the cell, thus controlling signaling events, proliferation and apoptosis in lymphocytes. Here we show that F-ara-A inhibits KV currents in human B lymphocytes. Our data indicate that KV1.3 is expressed in both BL2 and Dana B cell lines, although total KV1.3 levels were higher in BL2 than in Dana cells. However, KV currents in the plasma membrane were similar in both cell lines and were abrogated by the specific KV1.3 channel inhibitor PAP-1, indicating that KV1.3 accounts for most of the KV currents in these cell lines. F-ara-A, at a concentration (3.5 μM) similar to that achieved in the plasma of fludarabine phosphate-treated patients (3 μM), inhibited KV1.3 currents by 61 ± 6.3% and 52.3 ± 6.3% in BL2 and Dana B cells, respectively. The inhibitory effect of F-ara-A was concentration-dependent and showed an IC50 value of 0.36 ± 0.04 μM and a nH value of 1.07 ± 0.15 in BL2 cells and 0.34 ± 0.13 μM (IC50) and 0.77 ± 0.11 (nH) in Dana cells. F-ara-A inhibition of plasma membrane KV1.3 was observed irrespective of its cytotoxic effect on the cells, BL2 cells being sensitive and Dana cells resistant to F-ara-A cytotoxicity. Interestingly, PAP-1, at concentrations as high as 10 μM, did not affect the viability of BL2 and Dana cells, indicating that blockage of KV1.3 in these cells is not toxic. Finally, F-ara-A had no effect on ectopically expressed KV1.3 channels, suggesting an indirect mechanism of current inhibition. In summary, our results describe the inhibitory effect of F-ara-A on the activity of KV1.3 channel. Although KV1.3 inhibition is not sufficient to induce cell death, further research is needed to determine whether it might still contribute to F-ara-A cytotoxicity

  7. Localization of Kv1.3 channels in presynaptic terminals of brainstem auditory neurons

    PubMed Central

    Gazula, Valeswara-Rao; Strumbos, John G.; Mei, Xiaofeng; Chen, Haijun; Rahner, Christoph; Kaczmarek, Leonard K.

    2010-01-01

    Elimination of the Kv1.3 voltage-dependent potassium channel gene produces striking changes in the function of the olfactory bulb, raising the possibility that this channel also influences other sensory systems. We have examined the cellular and subcellular localization of Kv1.3 in the Medial Nucleus of the Trapezoid Body (MNTB) in the auditory brainstem, a nucleus in which neurons fire at high rates with high temporal precision. A clear gradient of Kv1.3 immunostaining along the lateral to medial tonotopic axis of the MNTB was detected. Highest levels were found in the lateral region of the MNTB, which corresponds to neurons that respond selectively to low frequency auditory stimuli. Previous studies have demonstrated that MNTB neurons and their afferent inputs from the cochlear nucleus express three other members of the Kv1 family, Kv1.1, Kv1.2 and Kv1.6. Nevertheless, confocal microscopy of MNTB sections co-immunostained for Kv1.3 with these subunits revealed that the distribution of Kv1.3 differed significantly from other Kv1 family subunits. In particular, no axonal staining of Kv1.3 was detected and most prominent labeling was in structures surrounding the somata of the principal neurons, suggesting specific localization to the large calyx of Held presynaptic endings that envelop the principal cells. The presence of Kv1.3 in presynaptic terminals was confirmed by co-immunolocalization with the synaptic markers synaptophysin, syntaxin, and synaptotagmin and by immunogold electron microscopy. Kv1.3 immunogold particles in the terminals were arrayed along the plasma membrane and on internal vesicular structures. To confirm these patterns of staining, we carried out immunolabeling on sections from Kv1.3−/− mice. No immunoreactivity could be detected in Kv1.3−/− mice either at the light level or in immunogold experiments. The finding of a tonotopic gradient in presynaptic terminals suggests that Kv1.3 may regulate neurotransmitter release differentially in

  8. Analysis of 3-MCPD and 1,3-DCP in Various Foodstuffs Using GC-MS.

    PubMed

    Kim, Wooseok; Jeong, Yun A; On, Jiwon; Choi, Ari; Lee, Jee-Yeon; Lee, Joon Goo; Lee, Kwang-Geun; Pyo, Heesoo

    2015-09-01

    3-Monochloro-1,2-propanediol (3-MCPD) and 1,3-dichloro-2-propanol (1,3-DCP) are not only produced in the manufacturing process of foodstuffs such as hydrolyzed vegetable proteins and soy sauce but are also formed by heat processing in the presence of fat and low water activity. 3-MCPD exists both in free and ester forms, and the ester form has been also detected in various foods. Free 3-MCPD and 1,3-DCP are classified as Group 2B by the International Agency for Research on Cancer. Although there is no data confirming the toxicity of either compound in humans, their toxicity was evidenced in animal experimentation or in vitro. Although few studies have been conducted, free 3-MCPD has been shown to have neurotoxicity, reproductive toxicity, and carcinogenicity. In contrast, 1,3-DCP only has mutagenic activity. The purpose of this study was to analyze 3-MCPD and 1,3-DCP in various foods using gas chromatography -mass spectrometry. 3-MCPD and 1,3-DCP were analyzed using phenyl boronic acid derivatization and the liquid-liquid extraction method, respectively. The analytical method for 3-MCPD and 1,3-DCP was validated in terms of linearity, limit of detection (LOD), limit of quantitation, accuracy and precision. Consequently, the LODs of 3-MCPD and 1,3-DCP in various matrices were identified to be in the ranges of 4.18~10.56 ng/g and 1.06~3.15 ng/g, respectively.

  9. The Thermodynamic Conjugation Stabilization of 1,3-Butadiyne Is Zero

    ERIC Educational Resources Information Center

    Rogers, Donald W.; Zavitsas, Andreas A.; Matsunaga, Nikita

    2010-01-01

    Many textbooks point out that the thermodynamic stabilization enthalpy of 1 mol of 1,3-butadiene relative to 2 mol of 1-butene or to 1 mol of 1,4-pentadiene is slightly less than 4 kcal mol[superscript -1], owing to conjugation between the double bonds in the 1,3 configuration. It is reasonable to suppose that the analogous thermochemical…

  10. National Ingition Facility subsystem design requirements pockels cell subsystem SSDR 1.3.3

    SciTech Connect

    Rhodes, M.

    1996-10-31

    This Subsystem Design Requirement document is a development specification that establishes the performance, design, development, and test requirements for the Pockels cell subsystem (WBS 1.3.3) of the NIF Laser System (WBS 1.3). The NIF is a multi-pass, 192-beam, high-power, neodymium-glass laser that meets requirements set forth in the NIF SDR 002 (Laser System). 5 figs., 1 tab.

  11. National Ignition Facility subsystem design requirements transportation {ampersand} handling, SSDR 1.1.1.3.2

    SciTech Connect

    Yakuma, S.; McNairy, R.

    1996-07-10

    This Subsystem Design Requirement document is a development specification that establishes the performance, design, development, and test requirements for the Transportation & Material Handling Systems (WBS 1.1.1.3.2) of the NIF Laser System (WBS 1.3 and 1.4). The NIF is a multi-pass, 192-beam, high-power, neodymium-glass laser that meets requirements set forth in the NIF SDR 002 (Laser System). 5 figs.

  12. Analysis of 3-MCPD and 1,3-DCP in Various Foodstuffs Using GC-MS

    PubMed Central

    Kim, Wooseok; Jeong, Yun A; On, Jiwon; Choi, Ari; Lee, Jee-yeon; Lee, Joon Goo; Lee, Kwang-Geun

    2015-01-01

    3-Monochloro-1,2-propanediol (3-MCPD) and 1,3-dichloro-2-propanol (1,3-DCP) are not only produced in the manufacturing process of foodstuffs such as hydrolyzed vegetable proteins and soy sauce but are also formed by heat processing in the presence of fat and low water activity. 3-MCPD exists both in free and ester forms, and the ester form has been also detected in various foods. Free 3-MCPD and 1,3-DCP are classified as Group 2B by the International Agency for Research on Cancer. Although there is no data confirming the toxicity of either compound in humans, their toxicity was evidenced in animal experimentation or in vitro. Although few studies have been conducted, free 3-MCPD has been shown to have neurotoxicity, reproductive toxicity, and carcinogenicity. In contrast, 1,3-DCP only has mutagenic activity. The purpose of this study was to analyze 3-MCPD and 1,3-DCP in various foods using gas chromatography -mass spectrometry. 3-MCPD and 1,3-DCP were analyzed using phenyl boronic acid derivatization and the liquid–liquid extraction method, respectively. The analytical method for 3-MCPD and 1,3-DCP was validated in terms of linearity, limit of detection (LOD), limit of quantitation, accuracy and precision. Consequently, the LODs of 3-MCPD and 1,3-DCP in various matrices were identified to be in the ranges of 4.18~10.56 ng/g and 1.06~3.15 ng/g, respectively. PMID:26483891

  13. Chiral phosphoric acid catalyzed enantioselective 1,3-dipolar cycloaddition reaction of azlactones.

    PubMed

    Zhang, Zhenhua; Sun, Wangsheng; Zhu, Gongming; Yang, Junxian; Zhang, Ming; Hong, Liang; Wang, Rui

    2016-01-25

    The first chiral phosphoric acid catalyzed highly diastereo- and enantioselective 1,3-dipolar cycloaddition reaction of azlactones and methyleneindolinones was disclosed. By using a BINOL-derived chiral phosphoric acid as the catalyst, azlactones were activated as chiral anti N-protonated 1,3-dipoles to react with methyleneindolinones to yield biologically important 3,3'-pyrrolidonyl spirooxindole scaffolds in high yields, with good-to-excellent diastereo- and enantioselectivity.

  14. An engineered scorpion toxin analogue with improved Kv1.3 selectivity displays reduced conformational flexibility

    PubMed Central

    Bartok, Adam; Fehér, Krisztina; Bodor, Andrea; Rákosi, Kinga; Tóth, Gábor K.; Kövér, Katalin E.; Panyi, Gyorgy; Varga, Zoltan

    2015-01-01

    The voltage-gated Kv1.3 K+ channel plays a key role in the activation of T lymphocytes. Kv1.3 blockers selectively suppress immune responses mediated by effector memory T cells, which indicates the great potential of selective Kv1.3 inhibitors in the therapy of certain autoimmune diseases. Anuroctoxin (AnTx), a 35-amino-acid scorpion toxin is a high affinity blocker of Kv1.3, but also blocks Kv1.2 with similar potency. We designed and produced three AnTx variants: ([F32T]-AnTx, [N17A]-AnTx, [N17A/F32T]-AnTx) using solid-phase synthesis with the goal of improving the selectivity of the toxin for Kv1.3 over Kv1.2 while keeping the high affinity for Kv1.3. We used the patch-clamp technique to determine the blocking potency of the synthetic toxins on hKv1.3, mKv1.1, hKv1.2 and hKCa3.1 channels. Of the three variants [N17A/F32T]-AnTx maintained the high affinity of the natural peptide for Kv1.3 but became more than 16000-fold selective over Kv1.2. NMR data and molecular dynamics simulations suggest that the more rigid structure with restricted conformational space of the double substituted toxin compared to the flexible wild-type one is an important determinant of toxin selectivity. Our results provide the foundation for the possibility of the production and future therapeutic application of additional, even more selective toxins targeting various ion channels. PMID:26689143

  15. Effectiveness of the KiVa Antibullying Program: Grades 1-3 and 7-9

    ERIC Educational Resources Information Center

    Karna, Antti; Voeten, Marinus; Little, Todd D.; Alanen, Erkki; Poskiparta, Elisa; Salmivalli, Christina

    2013-01-01

    This study investigated the effectiveness of the KiVa Antibullying Program in two samples of students, one from Grades 1-3 (7-9 years old, N = 6,927) and the other from Grades 7-9 (13-15 years old, N = 16, 503). The Grades 1-3 students were located in 74 schools and Grades 7-9 students in 73 schools that were randomly assigned to intervention and…

  16. Red phosphorescence from benzo[2,1,3]thiadiazoles at room temperature

    DOE PAGES

    Gutierrez, Gregory D.; Sazama, Graham T.; Wu, Tony; ...

    2016-05-23

    In this paper, we describe the red phosphorescence exhibited by a class of structurally simple benzo[2,1,3]thiadiazoles at room temperature. The photophysical properties of these molecules in deoxygenated cyclohexane, including their absorption spectra, steady-state photoluminescence and excitation spectra, and phosphorescence lifetimes, are presented. Finally, time-dependent density functional theory calculations were carried out to better understand the electronic excited states of these benzo[2,1,3]thiadiazoles and why they are capable of phosphorescence.

  17. 1,3-Propanediol production in a two-step process fermentation from renewable feedstock.

    PubMed

    Mendes, Filipa Soares; González-Pajuelo, Maria; Cordier, Hélène; François, Jean M; Vasconcelos, Isabel

    2011-11-01

    In this work, the production of 1,3-propanediol from glucose and molasses was studied in a two-step process using two recombinant microorganisms. The first step of the process is the conversion of glucose or other sugar into glycerol by the metabolic engineered Saccharomyces cerevisiae strain HC42 adapted to high (>200 g l(-1)) glucose concentrations. The second step, carried out in the same bioreactor, was performed by the engineered strain Clostridium acetobutylicum DG1 (pSPD5) that converts glycerol to 1,3-propanediol. This two-step strategy led to a flexible process, resulting in a 1,3-propanediol production and yield that depended on the initial sugar concentration. Below 56.2 g l(-1) of sugar concentration, cultivation on molasses or glucose showed no significant differences. However, at higher molasses concentrations, glycerol initially produced by yeast could not be totally converted into 1,3-propanediol by C. acetobutylicum and a lower 1,3-propanediol overall yield was observed. In our hand, the best results were obtained with an initial glucose concentration of 103 g l(-1), leading to a final 1,3-propanediol concentration of 25.5 g l(-1), a productivity of 0.16 g l(-1) h(-1) and 1,3-propanediol yields of 0.56 g g(-1) glycerol and 0.24 g g(-1) sugar, which is the highest value reported for a two-step process. For an initial sugar concentration (from molasses) of 56.2 g l(-1), 27.4 g l(-1) of glycerol were produced, leading to 14.6 g l(-1) of 1.3-propanediol and similar values of productivity, 0.15 g l(-1) h(-1), and overall yield, 0.26 g g(-1) sugar.

  18. Synthesis and analysis of potential α1,3-fucosyltransferase inhibitors.

    PubMed

    Seelhorst, Katrin; Piernitzki, Tomas; Lunau, Nathalie; Meier, Chris; Hahn, Ulrich

    2014-11-15

    Fucosyltransferases catalyze the transfer of l-fucose from an activated GDP-β-l-fucose to various acceptor molecules such as N-acetyllactosamine. Frequently fucosylation is the final step within the glycosylation machinery, and the resulting glycans are involved in various cellular processes such as cell-cell recognition, adhesion and inflammation or tumor metastasis. The selective blocking of these interactions would thus be a potential promising therapeutic strategy. The syntheses and analyses of various potential α1,3-fucosyltransferase inhibitors derived from GDP-β-l-fucose containing a triazole linker unit is summarized and the observed inhibitory effect was compared with that of small molecules such as GDP or fucose. To examine their specificity and selectivity, all inhibitors were tested with human α1,3-fucosyltransferase IX and Helicobacter pylori α1,3-fucosyltransferase, which is to date the only α1,3-fucosyltransferase with a known high resolution structure. Specific inhibitors which inhibit either H. pylori α1,3-fucosyltransferase or human fucosyltransferase IX with Ki values in the micromolar range were identified. In that regard, acetylated GDP-galactose derivative Ac-3 turned out to inhibit H. pylori α1,3-fucosyltransferase but not human fucosyltransferase IX, whereas GDP-6-amino-β-l-fucose 17 showed an appreciably better inhibitory effect on fucosyltransferase IX activity than on that of H. pylori fucosyltransferase.

  19. Hard magnetohydrodynamic limit in 1/3 sawtooth like activity in LHD

    SciTech Connect

    Varela, J.; Watanabe, K. Y.; Ohdachi, S.; Narushima, Y.

    2014-03-15

    The optimization of LHD discharges in inward-shifted configurations with 1/3 sawtooth like activity is an open issue. These relaxation events limit the LHD performance driving a periodic plasma deconfinement. The aim of this study is to analyze the 1/3 sawtooth like activity in plasmas with different stability properties to foreseen the best operation conditions and minimize its undesired effects. We summarize the results of several MHD simulations for plasmas with Lundquist numbers between 10{sup 5} and 10{sup 6} in the slow reconnection regime, studying the equilibria properties during the onset of a chain of 1/3 sawtooth like events. The research conclusions point out that the hard MHD limit can be reached in the inner plasma region after the onset of a strong 1/3 resonant sawtooth like event and trigger a plasma collapse. The collapse can be avoided if the system remains in the soft MHD limit, namely, in a regime with a pressure gradient and a magnetic turbulence below the critical values to drive the soft-hard MHD transition. In the soft MHD limit the system relaxations are the non resonant 1/3 sawtooth like events or a weak version of the 1/3 resonant sawtooth like events. A system relaxation in the soft MHD regime drives a minor plasma deconfinement that does not limit the LHD performance if the event periodicity is not very high.

  20. Melting and Crystalline Properties of Isotactic Poly(propylenes) with 1,3 Defects

    NASA Astrophysics Data System (ADS)

    Ruiz-Orta, Carolina; Fernandez-Blazquez, Juan P.; Alamo, Rufina G.; Anderson, Amelia M.; Coates, Geoffrey W.

    2010-03-01

    Polypropylenes synthesized with a chiral diimine Ni(II) catalyst and MAO produce isotactic poly(propylenes) with random 1,3 enchainments and offer the opportunity to study the effect of this defect on iPP crystallization in reference to the effect given by 1-alkene comonomers. The type and content of 1,3 insertions was obtained from high resolution 13 C NMR spectra. Both, the 1,3 insertion and the ethylene comonomer add similar methylene sequences to the isotactic iPP chain; however, iPP with isolated 1,3 defects melt and crystallize at lower temperatures than matched propylene ethylene copolymers. The melting behavior is similar to propylene 1-octene copolymers, reflecting the exclusion of the 1,3 defect from the crystals. Compared to copolymers with 1-octene or 1-hexene units, the methylene enchainment and change in chirality caused by the 1,3 defect leads to a lower degree of crystallinity and different polymorphic behavior.

  1. Inhibition of Kv1.3 Channels in Human Jurkat T Cells by Xanthohumol and Isoxanthohumol.

    PubMed

    Gąsiorowska, Justyna; Teisseyre, Andrzej; Uryga, Anna; Michalak, Krystyna

    2015-08-01

    Using whole-cell patch-clamp technique, we investigated influence of selected compounds from groups of prenylated chalcones and flavonoids: xanthohumol and isoxanthohumol on the activity of Kv1.3 channels in human leukemic Jurkat T cells. Obtained results provide evidence that both examined compounds were inhibitors of Kv1.3 channels in these cells. The inhibitory effects occurred in a concentration-dependent manner. The estimated value of the half-blocking concentration (EC50) was about 3 μM for xanthohumol and about 7.8 μM for isoxanthohumol. The inhibition of Kv1.3 channels by examined compounds was not complete. Upon an application of the compounds at the maximal concentrations equal to 30 μM, the activity of Kv1.3 channels was inhibited to about 0.13 of the control value. The inhibitory effect was reversible. The application of xanthohumol and isoxanthohumol did not change the currents' activation and inactivation rate. These results may confirm our earlier hypothesis that the presence of a prenyl group in a molecule is a factor that facilitates the inhibition of Kv1.3 channels by compounds from the groups of flavonoids and chalcones. The inhibition of Kv1.3 channels might be involved in antiproliferative and proapoptotic effects of the compounds observed in cancer cell lines expressing these channels.

  2. Glycerol assimilation and production of 1,3-propanediol by Citrobacter amalonaticus Y19.

    PubMed

    Ainala, Satish Kumar; Ashok, Somasundar; Ko, Yeounjoo; Park, Sunghoon

    2013-06-01

    Citrobacter amalonaticus Y19 (Y19) was isolated because of its ability for carbon monoxide-dependent hydrogen production (water-gas shift reaction). This paper reports the assimilation of glycerol and the production of 1,3-propanediol (1,3-PDO) by Y19. Genome sequencing revealed that Y19 contained the genes for the utilization of glycerol and 1,2-propanediol (pdu operon) along with those for the synthesis of coenzyme B12 (cob operon). On the other hand, it did not possess the genes for the fermentative metabolism of glycerol of Klebsiella pneumoniae, which consists of both the oxidative (dhaD and dhaK) and reductive (dhaB and dhaT) pathways. In shake-flask cultivation under aerobic conditions, Y19 could grow well with glycerol as the sole carbon source and produced 1,3-PDO. The level of 1,3-PDO production was improved when vitamin B12 was added to the culture medium under aerobic conditions. Under anaerobic conditions, cell growth and 1,3-PDO production on glycerol was also possible, but only when an exogenous electron acceptor, such as nitrate or fumarate, was added. This is the first report of the glycerol metabolism and 1,3-PDO production by C. amalonaticus Y19.

  3. Mitigating 1,3-dichloropropene, chloropicrin, and methyl iodide emissions from fumigated soil with reactive film.

    PubMed

    Xuan, Richeng; Yates, Scott R; Ashworth, Daniel J; Luo, Lifang

    2012-06-05

    Implicated as a stratospheric ozone-depleting compound, methyl bromide (MeBr) is being phased out despite being considered to be the most effective soil fumigant. Its alternatives, i.e., 1,3-dichloropropene (1,3-D, which includes cis and trans isomers), chloropicrin (CP), and methyl iodide (MeI), have been widely used. High emissions of MeI from fumigated soil likely put farm workers and other bystanders at risk of adverse health effects. In this study, two types of constructed reactive film were tested for their ability to mitigate emissions of 1,3-D, CP, and MeI using laboratory permeability cells. Before activation, these films act as a physical barrier to trap fumigants leaving soil. After activation of the reactive layer containing ammonium thiosulfate solution, the films also act as a sink for the fumigants. Over 97% of trans-1,3-D and 99% of the cis-1,3-D, CP and MeI were depleted when they passed into the reactive film. Half-lives (t(1/2)) of cis-, trans-1,3-D, CP and MeI under activated reactive film were 1.2, 1.4, 1.6, and 2.0 h respectively at 40 °C.

  4. Consequences of cps mutation of Klebsiella pneumoniae on 1,3-propanediol fermentation.

    PubMed

    Guo, Ni-Ni; Zheng, Zong-Ming; Mai, Yu-Lin; Liu, Hong-Juan; Liu, De-Hua

    2010-03-01

    The filtration in 1,3-propanediol (1,3-PD) downstream process is influenced by the large amounts of capsular polysaccharides (CPS) produced by Klebsiella pneumoniae CGMCC 1.6366. The morphological and fermentation properties were investigated with the CPS-deficient mutant K. pneumoniae CGMCC 1.6366 CPS. Similar biomass was obtained with CGMCC 1.6366, and the mutant strain in batch cultures indicating the cell growth was slightly inhibited by CPS defection. The viscosity of fermentation broth by mutant strain decreased by 27.45%. The flux with ceramic membrane filter was enhanced from 168.12 to 303.6 l h(-1) m(-2), exhibiting the great importance for downstream processing of 1,3-PD fermentation. The products spectrum of mutant isolate changed remarkably regarding to the concentration of fermentation products. The synthesis of important 1,3-PD and 2,3-butanediol was enhanced from 9.73 and 4.06 g l(-1) to 10.37 and 4.77 g l(-1) in batch cultures. The noncapsuled K. pneumoniae provided higher 1,3-PD yield of 0.54 mol mol(-1) than that of encapsuled wild parent in batch cultures. The fed-batch fermentation of mutant strain resulted in 1,3-PD concentration, yield, and productivity of 78.13 g l(-1), 0.53 mol mol(-1), and 1.95 g l(-1) h(-1), respectively.

  5. Modeling and experimental characterization on fatigue behaviour of 1-3 piezocomposites

    NASA Astrophysics Data System (ADS)

    Mohan, Y.; Jayendiran, R.; Arockiarajan, A.

    2015-04-01

    1-3 piezocomposites are very attractive materials in underwater and biomedical applications. These materials may be subjected to high electric field (2kV/mm) under continuous operation leading to deterioration in the output parameters such as remnant, saturation polarization and strain. Hence in this work, an experimental study is carried out to understand the fatigue behavior of 1-3 piezocomposites for various fiber volume fraction subjected to cyclic electric field (2kV/mm, 50Hz) up to 106 cycles. A uni-axial micro-mechanical model is developed to predict the fatigue behaviour of 1-3 piezocomposite. The novelty of this model is, the remnant polarization and strain are chosen as internal variables which is also dependent on the damage.The simulated results are compared with the experimental observations, it is observed that the proposed micro-mechanical model is able to predict the material degradation with increase in number of cycles of operation. A parametric study is also conducted for various fiber volume fraction of 1-3 piezocomposite as function of fatigue cycle it shows that the amplitude of dielectric hysteresis and butterfly loop decreases with increase in the number of cycles. The fatigue behavior has a substantial effect in the performance parameters such as coercive field, remnant polarization and the asymmetric strain behavior of 1-3 piezocomposite. This fatigue study explores the utilities of 1-3 piezocomposites in transducer applications by providing insight into the device design.

  6. Carbon and electron fluxes during the electricity driven 1,3-propanediol biosynthesis from glycerol.

    PubMed

    Zhou, Mi; Chen, Jingwen; Freguia, Stefano; Rabaey, Korneel; Keller, Jürg

    2013-10-01

    1,3-Propanediol (1,3-PDO) can be produced biologically through glycerol fermentation. While such a process typically involves a pure culture system, particularly for crude glycerol, there would be operational advantages if a mixed population could be used. However, in the latter case the yield is typically low. Here, we use electrical current as the driving force for a mixed population fermenting glycerol in the cathode of a microbial bioelectrochemical system (BES). The carbon and electron flows were monitored by a titration and off-gas analysis (TOGA) sensor, and the syntrophic interactions in the BES were also investigated. Results show that on a carbon yield basis, current enhanced 1,3-PDO production from 24.8% (without current) to 50.1% (with a polarized biocathode at -0.9 V versus standard hydrogen electrode, SHE). Flux analysis indicated that the reductive current can be integrated into glycerol metabolism to enhance 1,3-PDO yield and that glycerol metabolism was redirected from propionate fermentation to 1,3-PDO production. A polarization of -0.6 V (vs SHE) resulted in more fermentative hydrogen production (from 2.7% to 8.0% on electron basis). 1,3-PDO production was also enhanced with hydrogen supply (37.7% on carbon basis), by suppressing hydrogen fermentation. Moreover, interspecies hydrogen transfer encouraged hydrogenotrophic methanogenesis, which was also accelerated by the cathodic polarization.

  7. Reducing 1,3-dichloropropene emissions from soil columns amended with thiourea.

    PubMed

    Zheng, Wei; Yates, Scott R; Papiernik, Sharon K; Wang, Qiquan

    2006-04-01

    Soil fumigants are becoming an important source of volatile organic compounds (VOCs) in air, especially in some agricultural areas. In this study, we used thiourea to construct a reactive surface barrier (RSB) at the soil surface for reducing 1,3-dichloropropene (1,3-D) volatilization. The agrochemical thiourea could rapidly transform volatile 1,3-D to nonvolatile products via an SN2 nucleophilic substitution reaction. A catalytic mechanism in thiourea-amended soil facilitated the conversion process. A packed soil column system was employed to investigate the emissions and distribution of 1,3-D and optimize the original fumigant emission-reduction strategy. Volatilization of 1,3-D from the soil surface was significantly reduced in columns amended with a thiourea RSB compared with that of bare soil. Volatilization flux and cumulative emissions decreased with increasing thiourea application rate and increasing fumigation depth in packed soil columns. Surface amendment with the RSB did not affect the subsurface distribution of 1,3-D in the soil profile. Combined application of a thiourea RSB and plastic tarps had a synergetic effect in emission control and could eliminate the relatively high fumigant flux that occurs upon tarp disruption. Therefore, this reduced-risk practice was very effective in reducing atmospheric emissions of VOCs from soil treatment with halogenated fumigants.

  8. Surface irrigation reduces the emission of volatile 1,3-dichloropropene from agricultural soils.

    PubMed

    Ashworth, D J; Yates, S R

    2007-04-01

    Low-cost, practicable techniques are required to limit the release of volatile organic compound-containing fumigants such as 1,3-D to the atmosphere. In this study, we aimed to quantify 1,3-D diffusion and emission from laboratory soil columns maintained under realistic conditions and thereby assess the efficacy of soil irrigation as a technique for reducing emissions. In two soils (one relatively high, and one relatively low, in organic matter), irrigation led to a limiting of upward diffusion of the fumigant and to the maintenance of higher soil gas concentrations. Therefore, rather than being emitted from the column, the 1,3-D was maintained in the soil where it was ultimately degraded. As a consequence, emission of 1,3-D from the irrigated columns was around half of thatfrom the nonirrigated columns. It is concluded that surface irrigation represents an effective, low-cost, and readily practicable approach to lessening the environmental impact of 1,3-D fumigant use. In addition, the higher organic matter soil exhibited emissions of around one-fifth of the lower organic matter soil in both irrigated and nonirrigated treatments, due to markedly enhanced degradation of the fumigant. Organic matter amendment of soils may, therefore, also represent an extremely effective, relatively low-cost approach to reducing 1,3-D emissions.

  9. Dectin-1 Controls TLR9 Trafficking to Phagosomes containing β-1,3 glucan123

    PubMed Central

    Khan, Nida S.; Kasperkovitz, Pia V.; Timmons, Allison K.; Mansour, Michael K.; Tam, Jenny M.; Seward, Michael W.; Reedy, Jennifer L.; Puranam, Sravanthi; Feliu, Marianela; Vyas, Jatin M.

    2016-01-01

    Dectin-1 and TLR9 play distinct roles in the recognition and induction of innate immune responses to Aspergillus fumigatus and Candida albicans. Dectin-1 is a receptor for the major fungal cell wall carbohydrate β-1,3 glucan that induces inflammatory cytokines and controls phagosomal maturation through Syk activation. TLR9 is an endosomal Toll-like receptor that also modulates the inflammatory cytokine response to fungal pathogens. In this study, we demonstrate that β-1,3 glucan beads are sufficient to induce dynamic redistribution and accumulation of cleaved TLR9 to phagosomes. Trafficking of TLR9 to A. fumigatus and C. albicans phagosomes requires Dectin-1 recognition. Inhibition of phagosomal acidification blocks TLR9 accumulation on phagosomes containing β-1,3 glucan beads. Dectin-1 mediated Syk activation is required for TLR9 trafficking to β-1,3 glucan, A. fumigatus, and C. albicans containing phagosomes. In addition, Dectin-1 regulates TLR9 dependent gene expression. Collectively, our study demonstrates that recognition of β-1,3 glucan by Dectin-1 triggers TLR9 trafficking to β-1,3 glucan-containing phagosomes, which may be critical in coordinating innate anti-fungal defense. PMID:26829985

  10. A novel downstream process for 1,3-propanediol from glycerol-based fermentation.

    PubMed

    Anand, Pinki; Saxena, Rajendra Kumar; Marwah, Ruchi G

    2011-05-01

    In this paper, a downstream process for purification of 1,3-propanediol from glycerol-based fermentation broth was investigated. The purification of 1,3-propanediol from fermentation broth was achieved by a process combining microfiltration, charcoal treatment, vacuum distillation, and silica gel chromatography. The broth was first filtered through hollow fiber cartridge, wherein 98.7% of biomass was removed. Soluble proteins and other color impurities in the broth were removed by the use of activated charcoal at optimal concentration of 30 g l(-1) where the soluble proteins in the broth decreased to 0.1 g l(-1) (96.0% protein loss). The obtained broth when concentrated by vacuum distillation resulted in the crystallization of inorganic salts. Subsequently, 1,3-propanediol was purified by gradient chromatography using silica gel as a stationary phase and mixture of chloroform and methanol as a mobile phase. Finally, with the optimal flow rate of 10 ml min(-1) and loading amount of 80 ml, the yield of 1,3-propanediol achieved was 89%. The overall yield of 1,3-propanediol using the proposed procedure was 75.47%. The developed method was found to be a simple, rapid, and efficient procedure for the purification of 1,3-propanediol from fermentation broth.

  11. Biotransformation of 1,3-propanediol cyclic sulfate and its derivatives to diols by Rhodococcus sp.

    PubMed

    He, Yu-Cai; Tao, Zhi-Cheng; Zhang, Dan-Ping; Yang, Zhen-Xing; Gao, Shan; Ma, Cui-Luan

    2015-01-01

    Rhodococcus sp. CGMCC 4911 transformed 1,3-propanediol cyclic sulfate (1,3-PDS) and its derivatives into corresponding diols. Ethylene sulfate, glycol sulfide, 1,3-PDS, and 1,2-propanediol cyclic sulfate were effectively hydrolyzed with growing cells. (R)-1,2-Propanediol (>99 % e.e.) was obtained at 44 % yield with growing cells. Glycol sulfide, ethylene sulfate, and 1,3-PDS were converted into the corresponding diols at 94.6, 96.3, and 98.3 %, respectively. Optimal reaction conditions with lyophilized resting cells were 30 °C, pH 7.5, and cell dosage 17.9 mg cell dry wt/ml. 1,3-Propanediol was obtained from 50 mM 1,3-PDS at 97.2 % yield by lyophilized cells after 16 h. Lyophilized cells were entrapped in calcium alginate with a half-life of 263 h at 30 °C, and the total operational time of the immobilized biocatalysts could reach over 192 h with a high conversion rate.

  12. budC knockout in Klebsiella pneumoniae for bioconversion from glycerol to 1,3-propanediol.

    PubMed

    Guo, Xinkun; Fang, Huiying; Zhuge, Bin; Zong, Hong; Song, Jian; Zhuge, Jian; Du, Xingxing

    2013-01-01

    2,3-Butanediol (2,3-BD) is a major by-product of 1,3-propanediol (1,3-PDO) fermentation by Klebsiella pneumoniae ZG25. It not only consumes large amounts of its carbon source and nicotinamide adenine dinucleotide to diminish synthesis of 1,3-PDO, but also serves as an obstacle to high-purity 1,3-PDO in downstream processes. To decrease the formation of 2,3-BD and make an intrinsic improvement in 1,3-PDO production, the budC gene in K. pneumoniae, coding 2,3-BD dehydrogenase, which is a key gene of the 2,3-BD pathway, was successfully knocked out using the Red recombination system described in this paper. The results of the mutant fed-batch fermentation showed that the 1,3-PDO concentration, productivity per cell dry weight, and conversion rate increased to 880 mmol L(-1) , 22.0 mmol L(-1) h(-1) , and 0.700 mol mol(-1) , respectively, increasing by 10%, 15%, and 11% compared with the parent strain. Meanwhile, 2,3-BD was still found in fermentation broth with the 2,3-BD metabolic pathway blocked, which implies that K. pneumoniae possesses a pathway of the 2,3-BD cycle as a replenishment pathway.

  13. Endotoxin and β-(1,3)-glucan levels in automobiles: a pilot study.

    PubMed

    Wu, Francis Fu-Sheng; Wu, Mei-Wen; Chang, Chin-Fu; Lai, Shu-Mei; Pierse, Nevil; Crane, Julian; Siebers, Rob

    2010-01-01

    Exposure to bacterial endotoxin and fungal β-(1,3)-glucan in the indoor environment can induce respiratory symptoms. Automobiles are an exposure source of allergens but it is not known if, and how much exposure there is to endotoxin and fungal β-(1,3)-glucan. The objective of the study was to determine whether automobiles are a potential source of exposure to these microbial products. Dust was sampled from the passenger seats of 40 automobiles. Specific Limulus amoebocyte kinetic assays were used to measure endotoxin and β-(1,3)-glucan, respectively. Endotoxin and β-(1,3)-glucan was detected in all samples ranging from 19.9-247.0 EU/mg and 1.6-59.8 μg/g, respectively. There were no significant differences in endotoxin levels between automobiles of smokers and non-smokers, but β-(1,3)-glucan levels were about two-fold higher in the automobiles of non-smokers. In conclusion, endotoxin and β-(1,3)-glucan exposure in automobiles at levels found in our study may be of importance for asthmatics.

  14. Nonlinear modeling on rate dependent ferroelectric and ferroelastic response of 1-3 piezocomposites

    NASA Astrophysics Data System (ADS)

    Jayendiran, R.; Arockiarajan, A.

    2016-06-01

    The effect of loading rate on ferroelectric and ferroelastic behavior of 1-3 piezocomposites is presented in this work. Experiments are conducted for various loading rates under different loading conditions such as electrical and electromechanical to measure the rate dependent response of 1-3 piezocomposite compared with bulk piezoceramics. A thermodynamic based rate dependent domain switching criteria has been proposed to predict the ferroelectric and ferroelastic behavior of homogenized 1-3 piezocomposites. In this model, volume fraction of six distinct uni-axial variants are used as internal variables to describe the microscopic state of the material. Plasticity based kinematic hardening parameter is introduced as a function of internal variables to describe the grain boundary effects. Homogenization of 1-3 piezocomposite material properties are obtained by finite element (FE) resonator models using commercially available FE tool Abaqus. To evaluate the possible modes of vibration of 1-3 piezocomposite four different configuration of FE resonators are modeled. The FE resonator model is validated with the impedance spectra obtained experimentally for length extensional and thickness extensional resonator models. The predicted effective properties using the resonance based technique are incorporated in the proposed rate dependent macromechanical model to study the behavior of 1-3 piezocomposites. The simulated results are compared with the experimental observations.

  15. Detailed studies of a high-capacity electrode material for rechargeable batteries, Li2MnO3-LiCo(1/3)Ni(1/3)Mn(1/3)O2.

    PubMed

    Yabuuchi, Naoaki; Yoshii, Kazuhiro; Myung, Seung-Taek; Nakai, Izumi; Komaba, Shinichi

    2011-03-30

    Lithium-excess manganese layered oxides, which are commonly described by the chemical formula zLi(2)MnO(3)-(1-z)LiMeO(2) (Me = Co, Ni, Mn, etc.), are of great importance as positive electrode materials for rechargeable lithium batteries. In this Article, Li(x)Co(0.13)Ni(0.13)Mn(0.54)O(2-δ) samples are prepared from Li(1.2)Ni(0.13)Co(0.13)Mn(0.54)O(2) (or 0.5Li(2)MnO(3)-0.5LiCo(1/3)Ni(1/3)Mn(1/3)O(2)) by an electrochemical oxidation/reduction process in an electrochemical cell to study a reaction mechanism in detail before and after charging across a voltage plateau at 4.5 V vs Li/Li(+). Changes of the bulk and surface structures are examined by synchrotron X-ray diffraction (SXRD), X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS), and time-of-flight secondary ion mass spectroscopy (SIMS). SXRD data show that simultaneous oxygen and lithium removal at the voltage plateau upon initial charge causes the structural rearrangement, including a cation migration process from metal to lithium layers, which is also supported by XAS. This is consistent with the mechanism proposed in the literature related to the Li-excess manganese layered oxides. Oxygen removal associated with the initial charge on the high voltage plateau causes oxygen molecule generation in the electrochemical cells. The oxygen molecules in the cell are electrochemically reduced in the subsequent discharge below 3.0 V, leading to the extra capacity. Surface analysis confirms the formation of the oxygen containing species, such as lithium carbonate, which accumulates on the electrode surface. The oxygen containing species are electrochemically decomposed upon second charge above 4.0 V. The results suggest that, in addition to the conventional transition metal redox reactions, at least some of the reversible capacity for the Li-excess manganese layered oxides originates from the electrochemical redox reaction of the oxygen molecules at the electrode surface.

  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

    SciTech Connect

    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{sup +}) or erythroid (CD71{sup +}) 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. Highlights: ► Acute oral exposure to munitions RDX causes myelosuppression. ► Environmental degradation product MNX is comparable in effect. ► RDX and MNX are cytotoxic to both myeloid and erythroid

  17. Properties of [Pb(Zn1/3Nb2/3)O3]x- [Pb(Zr0.48Ti0.52)O3](1-x) Ceramics With Low Sintering Temperature and Their 1-3 Piezocomposites.

    PubMed

    Mensur-Alkoy, Ebru; Kaya, Mustafa Yunus; Avdan, Duygu; Alkoy, Sedat

    2016-06-01

    In this paper, dense ( x )PZN-( 1-x )PZT ceramics were prepared at sintering temperatures as low as 950 °C with PZN ratios of x=0.4 , 0.5, and 0.6. The 0.4PZN-0.6PZT composition was found to crystallize in the perovskite phase at this sintering temperature without the presence of any other secondary phases. Higher electrical and electromechanical properties were obtained from the 0.4PZN-0.6PZT composition compared with the x=0.5 and x=0.6 counterparts. Dielectric constant, piezoelectric charge coefficient, electromechanical coupling coefficient, and mechanical quality factor of 0.4PZN-0.6PZT were found to be 2608, 477 pC/N, 64.4, and 65, respectively. While the Curie temperature was 140 °C for pure PZN, the Curie temperature was measured as 300 °C for x=0.4 composition. Green PZN-PZT fibers with circular cross section were drawn using alginate gelation method from the 0.4PZN-0.6PZT composition. Dense fibers were obtained after the sintering process, and piezocomposites were prepared with 1-3 connectivity using fibers with an average diameter of 600 [Formula: see text]. Composites with volume fraction of 20 vol% were investigated for passive acoustic sensor applications. Electrical properties of piezocomposites were found to be scalable and compatible with the electrical properties of the bulk composition. The dielectric constant, piezoelectric charge coefficient, and maximum strain value of the PZN-PZT 1-3 piezocomposite were measured as 345, 165 pC/N, and 0.13%, respectively.

  18. Rigorous interpretation of electronic density functions of axial and equatorial conformers of dimethylphosphinoylcyclohexane, 2-(dimethylphosphinoyl)-1,3,5-trithiane, and 2-(dimethylphosphinoyl)-1,3-dithiane-1,1,3,3-tetraoxide.

    PubMed

    Madrid, G; Rochín, A; Juaristi, E; Cuevas, G

    2001-05-04

    Theoretical analysis within the frame of the Topological Theory of Atoms in Molecules confirms the repulsive steric interaction between an axial dimethylphosphinoyl group and the syn-diaxial hydrogens in cyclohexane derivative 2-ax. In seemingly good agreement with experiment, equatorial isomer 2-eq was calculated to be 1.49 kcal/mol more stable than 2-ax. (Experimental energy difference in (diphenylphosphinoyl)cyclohexane, Delta H(o) = 1.96 kcal/mol.) In contrast, axial 2-(dimethylphosphinoyl)-1,3,5-trithiane, 3-ax, was calculated to be 6.38 kcal/mol more stable than 3-eq. (Experimentally, the axial conformer of 2-(diphenylphosphinoyl)-1,3,5-trithiane, was found to be 1.43 kcal/mol more stable than the equatorial conformer, in solvent chloroform.) Theoretical analysis, in particular the electron density at the bond critical point within the C(4,6)-H...O=P bonding trajectory, implies significant bonding in this segment of interacting atoms. By the same token, substantial positive charge is acquired by the C--H bonds adjacent to the sulfonyl groups in disulfone 4. Hydrogen bonding between the phosphoryl group and H(4,6) leads to stabilization of 4-ax, which is estimated to be 5.0 kcal/mol lower in energy than 4-eq. This conclusion is supported by examination of P==O...H--C(4,6) bond trajectories, as well as from evaluation of the critical point properties along those interacting moieties. By contrast, fluorinated derivative 5 is more stable in the equatorial conformation, indicating a repulsive electrostatic interaction of the C--F...O-P entity in 5-ax.

  19. Cleavage of carbon-nitrogen bond in 1,3,5-tri-tert-butyl-1,3,5-triazacyclohexane by copper(I) bromide

    NASA Astrophysics Data System (ADS)

    Khatua, Suman; Majumdar, Amit

    2016-09-01

    Reactions of CuCl, CuCl2 and CuBr2 with 1,3,5-tri-tert-butyl-1,3,5-triazacyclohexane (tBu3tach) resulted in the formation of [(tBu3tach-H)+(CuCl2)] (1), [(tBu3tach)(CuCl2)] (2) and [(tBu3tach-H)+(CuBr2)] (3) respectively. Interestingly, CuBr was found to mediate the cleavage of the C-N bonds of tBu3tach in a vast range of solvents, namely, chloroform, dichloromethane, tetrahydrofuran, acetonitrile and methanol to yield [Cu4Br4(tBuNCH2)4] (4) and stands as an example of C-N bond cleavage of 1,3,5-triazacyclohexane rings by copper salts. Compounds 1 and 3 contains amidinium cations and are unstable in solution towards the release of copper. The release of copper from 3 in solution was confirmed by the isolation of the compound, [CuBr(MeCN)] (5). Formation of the amidinium cations [(tBu3tach-H)+] in 1 and 3 may be avoided by the use of PPh3 to yield [(tBu3tach)Cu(PPh3)](PF6) (6), while the coordinated N-tert-butylmethanimine (tBuNCH2) in 4 could be replaced by PPh3 to yield [Cu4Br4(PPh3)4] (7). Complexes 1-7 are characterized by a combination of single crystal X-ray structure determination and/or elemental analysis, NMR, IR, and UV-Vis spectroscopy, and Mass spectrometry.

  20. Transannular Diels-Alder/1,3-Dipolar Cycloaddition Cascade of 1,3,4-Oxadiazoles: Total Synthesis of a Unique Set of Vinblastine Analogues

    PubMed Central

    Campbell, Erica L.; Skepper, Colin K.; Sankar, Kuppusamy; Duncan, Katharine K.; Boger, Dale L.

    2013-01-01

    A powerful tandem [4+2]/[3+2] cycloaddition cascade of 1,3,4-oxadiazoles initiated by a transannular [4+2] cycloaddition is detailed. An impressive four rings, four carbon-carbon bonds, and six stereocenters are set on each site of the newly formed central six-membered ring in a cascade thermal reaction that proceeds at temperatures as low as 80 °C. The resulting cycloadducts provide the basis for the synthesis of unique analogues of vinblastine containing metabolically benign deep-seated cyclic modifications at the C3/C4 centers of the vindoline-derived subunit of the natural product. PMID:24087969

  1. Improved 1,3-Propanediol Synthesis from Glycerol by the Robust Lactobacillus reuteri Strain DSM 20016.

    PubMed

    Ricci, Maria Antonietta; Russo, Annamaria; Pisano, Isabella; Palmieri, Luigi; de Angelis, Maria; Agrimi, Gennaro

    2015-06-01

    Various Lactobacillus reuteri strains were screened for the ability to convert glycerol to 1,3- propanediol (1,3-PDO) in a glycerol-glucose co-fermentation. Only L. reuteri DSM 20016, a well-known probiotic, was able to efficiently carry out this bioconversion. Several process strategies were employed to improve this process. CO(2+) addition to the fermentation medium, led to a high product titer (46 g/l) of 1,3-PDO and to improved biomass synthesis. L. reuteri DSM 20016 produced also ca. 3 μg/g of cell dry weight of vitamin B12, conferring an economic value to the biomass produced in the process. Incidentally, we found that L. reuteri displays the highest resistance to CO(2+) ions ever reported for a microorganism. Two waste materials (crude glycerol from biodiesel industry and spruce hydrolysate from paper industry) alone or in combination were used as feedstocks for the production of 1,3-PDO by L. reuteri DSM 20016. Crude glycerol was efficiently converted into 1,3-PDO although with a lower titer than pure glycerol (-18%). Compared with the fermentation carried out with pure substrates, the 1,3- PDO produced was significantly lower (40.7 vs. 24.2 g/l) using cellulosic hydrolysate and crude glycerol, but strong increases of the maximal biomass produced (+27%) and of the glucose consumption rate (+46%) were found. The results of this study lay the foundation for further investigations to exploit the biotechnological potential of L. reuteri DSM 20016 to produce 1,3-PDO and vitamin B12 using industry byproducts.

  2. β-galactosyl Yariv reagent binds to the β-1,3-galactan of arabinogalactan proteins.

    PubMed

    Kitazawa, Kiminari; Tryfona, Theodora; Yoshimi, Yoshihisa; Hayashi, Yoshihiro; Kawauchi, Susumu; Antonov, Liudmil; Tanaka, Hiroshi; Takahashi, Takashi; Kaneko, Satoshi; Dupree, Paul; Tsumuraya, Yoichi; Kotake, Toshihisa

    2013-03-01

    Yariv phenylglycosides [1,3,5-tri(p-glycosyloxyphenylazo)-2,4,6-trihydroxybenzene] are a group of chemical compounds that selectively bind to arabinogalactan proteins (AGPs), a type of plant proteoglycan. Yariv phenylglycosides are widely used as cytochemical reagents to perturb the molecular functions of AGPs as well as for the detection, quantification, purification, and staining of AGPs. However, the target structure in AGPs to which Yariv phenylglycosides bind has not been determined. Here, we identify the structural element of AGPs required for the interaction with Yariv phenylglycosides by stepwise trimming of the arabinogalactan moieties using combinations of specific glycoside hydrolases. Whereas the precipitation with Yariv phenylglycosides (Yariv reactivity) of radish (Raphanus sativus) root AGP was not reduced after enzyme treatment to remove α-l-arabinofuranosyl and β-glucuronosyl residues and β-1,6-galactan side chains, it was completely lost after degradation of the β-1,3-galactan main chains. In addition, Yariv reactivity of gum arabic, a commercial product of acacia (Acacia senegal) AGPs, increased rather than decreased during the repeated degradation of β-1,6-galactan side chains by Smith degradation. Among various oligosaccharides corresponding to partial structures of AGPs, β-1,3-galactooligosaccharides longer than β-1,3-galactoheptaose exhibited significant precipitation with Yariv in a radial diffusion assay on agar. A pull-down assay using oligosaccharides cross linked to hydrazine beads detected an interaction of β-1,3-galactooligosaccharides longer than β-1,3-galactopentaose with Yariv phenylglycoside. To the contrary, no interaction with Yariv was detected for β-1,6-galactooligosaccharides of any length. Therefore, we conclude that Yariv phenylglycosides should be considered specific binding reagents for β-1,3-galactan chains longer than five residues, and seven residues are sufficient for cross linking, leading to precipitation

  3. Conversion of 1,3-Propylene Glycol on Rutile TiO2(110)

    SciTech Connect

    Chen, Long; Li, Zhenjun; Smith, R. Scott; Kay, Bruce D.; Dohnalek, Zdenek

    2014-10-09

    The adsorption of 1,3-propylene glycol (1,3-PG) on partially reduced TiO2(110) and its conversion to products have been studied by a combination of molecular beam dosing and temperature programmed desorption (TPD). When the Ti surface sites are saturated by 1,3-PG, ~80% of the molecules undergo further reactions to yield products that are liberated during the TPD ramp. In contrast to ethylene glycol (EG) and 1,2- propylene glycol (1,2-PG) that yield only alkenes and water at very low coverages (< 0.05 ML), two additional products, HCHO and C2H4, along with propylene (CH3CHCH2) and water are observed for 1,3-PG. Identical TPD line shapes and desorption yields for HCHO and C2H4 suggest that these products result from C-C bond cleavage and are coupled. At higher 1,3-PG coverages (> 0.1 ML), propanal (CH3CH2CHO) and two additional products, 1-propanol (CH3CH2CH2OH) and acrolein (CH2CHCHO), are observed. The desorption of 1-propanol is found to be coupled with the desorption of acrolein, suggesting that these products are formed by the disproportionation of two 1,3-PG molecules. The coverage dependent TPD results further show that propylene formation dominates at low coverages (< 0.3 ML), while the decomposition and disproportionation channels increase rapidly at higher coverages and reach yields comparable to that of propylene at the 1,3-PG saturation coverage of 0.5 ML. The observed surface chemistry clearly shows how the molecular structure of glycols influences their reaction pathways on oxide surfaces.

  4. 3-Hydroxypropionaldehyde guided glycerol feeding strategy in aerobic 1,3-propanediol production by Klebsiella pneumoniae.

    PubMed

    Hao, Jian; Lin, Rihui; Zheng, Zongming; Sun, Yan; Liu, Dehua

    2008-12-01

    3-Hydroxypropionaldehyde (3-HPA) is a toxic intermediary metabolite in the biological route of 1,3-propanediol biosynthesis from glycerol. 3-HPA accumulated in culture medium would arouse an irreversible cessation of the fermentation process. The role of substrate (glycerol) on 3-HPA accumulation in aerobic fermentation was investigated in this paper. 1,3-Propanediol oxidoreductase and glycerol dehydratase, two key enzyme catalyzing reactions of 3-HPA formation and consumption, were sensitive to high concentration of 3-HPA. When the concentration of 3-HPA increased to a higher level in medium (ac 10 mmol/L), the activity of 1,3-propanediol oxidoreductase in cell decreased correspondingly, which led to decrease of the 3-HPA conversion rate, then the 3-HPA concentration increasing was accelerated furthermore. 3-HPA accumulation in culture medium was triggered by this positive feedback mechanism. In the cell exponential growth phase, the reaction catalyzed by 1,3-propanediol oxidoreductase was the rate limiting step in 1,3-propanediol production. The level of 3-HPA in culture medium could be controlled by the substrate (glycerol) concentration, and lower level of glycerol could avoid 3-HPA accumulating to a high, lethal concentration. In fed batch fermentation, under the condition of initial glycerol concentration 30 g/L, and keeping glycerol concentration lower than 7-8 g/L in cell exponential growth phase, 3-HPA accumulation could not be incurred. Based on this result, a glycerol feeding strategy was set up in fed batch fermentation. Under the optimized condition, 50.1 g/L of 1,3-propanediol was produced in 24 h, and 73.1 g/L of final 1,3-propanediol concentration was obtained in 54 h.

  5. 21 CFR 177.1345 - Ethylene/1,3-phenylene oxyethylene iso-phtha-late/ tere-phtha-late copolymer.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 3 2012-04-01 2012-04-01 false Ethylene/1,3-phenylene oxyethylene iso-phtha-late... § 177.1345 Ethylene/1,3-phenylene oxyethylene iso-phtha-late/ tere-phtha-late copolymer. Ethylene/1, 3..., ethylene/1,3-phenylene oxyethylene isophthalate/terephthalate copolymer consists of the basic...

  6. Digestion of Yeasts and Beta-1,3-Glucanases in Mosquito Larvae: Physiological and Biochemical Considerations

    PubMed Central

    Souza, Raquel Santos; Diaz-Albiter, Hector Manuel; Dillon, Vivian Maureen; Dillon, Rod J.; Genta, Fernando Ariel

    2016-01-01

    Aedes aegypti larvae ingest several kinds of microorganisms. In spite of studies regarding mosquito digestion, little is known about the nutritional utilization of ingested cells by larvae. We investigated the effects of using yeasts as the sole nutrient source for A. aegypti larvae. We also assessed the role of beta-1,3-glucanases in digestion of live yeast cells. Beta-1,3-glucanases are enzymes which hydrolyze the cell wall beta-1,3-glucan polyssacharide. Larvae were fed with cat food (controls), live or autoclaved Saccharomyces cerevisiae cells and larval weight, time for pupation and adult emergence, larval and pupal mortality were measured. The presence of S. cerevisiae cells inside the larval gut was demonstrated by light microscopy. Beta-1,3-glucanase was measured in dissected larval samples. Viability assays were performed with live yeast cells and larval gut homogenates, with or without addition of competing beta-1,3-glucan. A. aegypti larvae fed with yeast cells were heavier at the 4th instar and showed complete development with normal mortality rates. Yeast cells were efficiently ingested by larvae and quickly killed (10% death in 2h, 100% in 48h). Larvae showed beta-1,3-glucanase in head, gut and rest of body. Gut beta-1,3-glucanase was not derived from ingested yeast cells. Gut and rest of body activity was not affected by the yeast diet, but head homogenates showed a lower activity in animals fed with autoclaved S. cerevisiae cells. The enzymatic lysis of live S. cerevisiae cells was demonstrated using gut homogenates, and this activity was abolished when excess beta-1,3-glucan was added to assays. These results show that live yeast cells are efficiently ingested and hydrolyzed by A. aegypti larvae, which are able to fully-develop on a diet based exclusively on these organisms. Beta-1,3-glucanase seems to be essential for yeast lytic activity of A. aegypti larvae, which possess significant amounts of these enzyme in all parts investigated. PMID

  7. Blockade of lysophosphatidic acid receptors LPAR1/3 ameliorates lung fibrosis induced by irradiation

    SciTech Connect

    Gan, Lu; Xue, Jian-Xin; Li, Xin; Liu, De-Song; Ge, Yan; Ni, Pei-Yan; Deng, Lin; Lu, You; Jiang, Wei

    2011-05-27

    Highlights: {yields} Lysophosphatidic acid (LPA) levels and its receptors LPAR1/3 transcripts were elevated during the development of radiation-induced lung fibrosis. {yields} Lung fibrosis was obviously alleviated in mice treated with the dual LPAR1/3 antagonist, VPC12249. {yields} VPC12249 administration effectively inhibited radiation-induced fibroblast accumulation in vivo, and suppressed LPA-induced fibroblast proliferation in vitro. {yields} LPA-LPAR1/3 signaling regulated TGF{beta}1 and CTGF expressions in radiation-challenged lungs, but only influenced CTGF expression in cultured fibroblasts. {yields} LPA-LPAR1/3 signaling induced fibroblast proliferation through a CTGF-dependent pathway, rather than through TGF{beta}1 activation. -- Abstract: Lung fibrosis is a common and serious complication of radiation therapy for lung cancer, for which there are no efficient treatments. Emerging evidence indicates that lysophosphatidic acid (LPA) and its receptors (LPARs) are involved in the pathogenesis of fibrosis. Here, we reported that thoracic radiation with 16 Gy in mice induced development of radiation lung fibrosis (RLF) accompanied by obvious increases in LPA release and LPAR1 and LPAR3 (LPAR1/3) transcripts. RLF was significantly alleviated in mice treated with the dual LPAR1/3 antagonist, VPC12249. VPC12249 administration effectively prolonged animal survival, restored lung structure, inhibited fibroblast accumulation and reduced collagen deposition. Moreover, profibrotic cytokines in radiation-challenged lungs obviously decreased following administration of VPC12249, including transforming growth factor {beta}1 (TGF{beta}1) and connective tissue growth factor (CTGF). In vitro, LPA induced both fibroblast proliferation and CTGF expression in a dose-dependent manner, and both were suppressed by blockade of LPAR1/3. The pro-proliferative activity of LPA on fibroblasts was inhibited by siRNA directed against CTGF. Together, our data suggest that the LPA-LPAR1/3

  8. Assessment of the potential risk to workers from exposure to 1,3-butadiene.

    PubMed Central

    Turnbull, D; Rodricks, J V; Brett, S M

    1990-01-01

    The available epidemiologic data provide equivocal evidence that 1,3-butadiene is carcinogenic in humans; some available studies suggest that the lymphopoietic system is a target, but there are inconsistencies among studies in the types of tumors associated with 1,3-butadiene exposure, and there is no evidence of a relationship between length of exposure and cancer risk, as one might expect if there was a true causal relationship between 1,3-butadiene exposure and cancer risk. The available chronic animal studies, however, show an increase in tumor incidence associated with exposure to high concentrations of 1,3-butadiene. In addition to the general uncertainty of the relevance of animal data to humans, there are several additional reasons why the National Toxicology Program's mouse study may not be appropriate for assessing possible human risks. These include: a) the possible involvement of a species-specific tumor virus (MuLV) in the response in mice; b) apparent differences between mice and humans in the rate of metabolism of 1,3-butadiene to reactive epoxides that may be proximate carcinogens; c) use of high dose levels that caused excess early mortality; and d) exposure of animals to 1,3-butadiene for only about half their lifetime. While recognizing the uncertainty in using the available animal data for risk assessment, we have performed low-dose extrapolation of the data to examine the implications of the data if humans were as sensitive as rats or mice to 1,3-butadiene, and to examine how the predictions of the animal data compare to that observed in the epidemiologic studies. With the mouse data, because the study was of less than lifetime duration, we have used the Hartley-Sielken time-to-tumor model to permit estimation of lifetime risk from the less than lifetime exposure of the study. With the rat data, we have used three plausible models for assessing low-dose risk: the multistage model, the Weibull model, and the Mantel-Bryan probit model. With both

  9. Growth changes of eighteen herbaceous angiosperms induced by Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in soil.

    PubMed

    Hagan, Frank L; Koeser, Andrew K; Dawson, Jeffrey O

    2016-01-01

    Study objectives were to describe and quantify growth responses (tolerance as shoot and root biomass accumulation) to soil-applied Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) treatments of eighteen terrestrial, herbaceous, angiospermous species and also; to determine how much of RDX, RDX transformation products, total N and RDX-derived N accumulated in the foliage. RDX altered growth of eighteen plant species or cultivars at levels of 100, 500, and 1,000 mg kg(-1)dry soil in a 75-d greenhouse study. Sixteen species or cultivars exhibited growth inhibition while two were stimulated in growth by RDX. A maximum amount of foliar RDX in a subset of three plant species was 36.0 mg per plant in Coronilla varia. Foliar concentrations of transformation products of RDX were low relative to RDX in the subset of three species. The proportion of RDX-N with respect to total N was constant, suggesting that foliar RDX transformation did not explain differences in tolerance. There was a δ (15)N shift towards that of synthetic RDX in foliage of the three species at a level of 1,000 mg kg(-1) RDX, proportional in magnitude to uptake of N from RDX and tolerance ranking.Reddened leaf margins for treated Sida spinosa indicate the potential of this species as a biosensor for RDX.

  10. 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 of14C-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.

  11. Carburization of tungsten filaments in a hot-wire chemical vapor deposition process using 1,1,3,3-tetramethyl-1,3-disilacyclobutane.

    PubMed

    Tong, L; Shi, Y J

    2009-09-01

    The alloying of tungsten filament when using 1,1,3,3-tetramethyl-1,3-disilacyclobutane (TMDSCB) in a hot-wire chemical vapor deposition reactor was systematically studied by scanning electron microscopy, Auger electron spectroscopy, analysis of the power consumed by the filament, and in situ mass spectrometric measurements of the gas-phase species produced in the process. Only carburization of the W filament was observed. The carburization is mainly caused by the interaction of methyl radicals with the filament. Graphite as well as both WC and W2C alloys can form on the filament surface, depending on the filament temperatures and source gas pressures. Both WC and graphite are converted to W2C with the diffusion of C into the filament. It is shown that filament carburization affects the consumption rate of the source gas and the intensities of gas-phase reaction products. Gas-phase reactions dominate at T < or = 1400 degrees C. The carburization rate increases with increasing filament temperatures and dominates at T > or = 1800 degrees C.

  12. Photoresponsive character in double-doped La-2/3(Ca2/3Sr1/3)(1/3)MnO3 thin film

    NASA Astrophysics Data System (ADS)

    Wang, Y. C.; Ren, R.; Chen, C. L.; Ren, D. A.; Jin, K. X.; Yuan, X.; Zhao, S. G.; Song, Z. M.

    2005-07-01

    A Ca, Sr double-doped La-2/3(Ca2/3Sr1/3)(1/3)MnO3 thin film with a thickness of about 60 nm was deposited on (100) LaAlO3 substrates using the RF magnetron sputtering method from the bulk compound prepared using the solid-state reaction method. The experimental results show that a phase transition from the ferromagnetic metallic state to the paramagnetic insulating state occurs at 341 K (near to T-p, the highest peak temperature). The R-T curve deviation of the thin film with the application of CW laser is dramatic in the low-temperature range and Delta R/R is positive. At 276 K, the Delta R/R reaches the maximum, about 41 %, and the temperature of the photo-induced resistance maximum of this double-doped thin film appears near to room temperature range, which offers a new method for the application of CMR photo-electric devices.

  13. In Silico Alkaline Hydrolysis of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine: Density Functional Theory Investigation.

    PubMed

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

    2016-09-20

    HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine), an energetic material used in military applications, may be released to the environment during manufacturing, transportation, storage, training, and disposal. A detailed investigation of a possible mechanism of alkaline hydrolysis, as one of the most promising methods for HMX remediation, was performed by computational study at PCM(Pauling)/M06-2X/6-311++G(d,p) level. Obtained results suggest that HMX hydrolysis at pH 10 represents a highly exothermic multistep process involving initial deprotonation and nitrite elimination, hydroxide attachment accompanied by cycle cleavage, and further decomposition of cycle-opened intermediate to the products caused by a series of C-N bond ruptures, hydroxide attachments, and proton transfers. Computationally predicted products of HMX hydrolysis such as nitrite, 4-nitro-2,4-diazabutanal, formaldehyde, nitrous oxide, formate, and ammonia correspond to experimentally observed species. Based on computed reaction pathways for HMX decomposition by alkaline hydrolysis, the kinetics of the entire process was modeled. Very low efficiency of this reaction at pH 10 was observed. Computations predict significant increases (orders of magnitude) of the hydrolysis rate for hydrolysis reactions undertaken at pH 11, 12, and 13.

  14. Vicarious nucleophilic substitution to prepare 1,3-diamino-2,4,6-trinitrobenzene or 1,3,5-triamino-2,4,6-trinitrobenzene

    DOEpatents

    Mitchell, Alexander R.; Pagoria, Philip F.; Schmidt, Robert D.

    1996-01-01

    The present invention relates to a process to produce 1,3-diamino-2,4,6-trinitrobenzene (DATB) or 1,3,5-triamino-2,4,6,-trinitrobenzene (TATB) by: (a) reacting at ambient pressure and a temperature of between about 0.degree. and 50.degree. C. for between about 0.1 and 24 hr, a trinitroaromatic compound of structure V: ##STR1## wherein X, Y, and Z are each independently selected from --H, or --NH.sub.2, with the proviso that at least 1 or 2 of X, Y, and Z are hydrogen, with an amount effective to produce DATB or TATB of 1,1,1-trialkylhydrazinium halide wherein alkyl is selected from methyl, ethyl, propyl or butyl and halide is selected from chloride, bromide or iodide. in the presence of a strong base selected from sodium butoxide, potassium butoxide, potassium propoxide, sodium propoxide, sodium ethoxide, potassium ethoxide, sodium methoxide, potassium methoxide, and combinations thereof; in a solvent selected from the group consisting of methanol, ethanol, propanol, butanol, dimethylsulphoxide, N-methylpyrrolidone, hexamethylphosphoramide, dimethylformide, dimethylacetamide and mixtures thereof, provided that when alcohols are present primarily DATB and picramide is formed; and (b) isolating the DATB or TATB produced. DATB and TATB are useful specialty explosives. TATB is also used for the preparation of benzenehexamine, a starting material for the synthesis of novel materials (optical imaging devices, liquid crystals, ferromagnetic compounds).

  15. Vicarious nucleophilic substitution to prepare 1,3-diamino-2,4,6-trinitrobenzene or 1,3,5-triamino-2,4,6-trinitrobenzene

    DOEpatents

    Mitchell, A.R.; Pagoria, P.F.; Schmidt, R.D.

    1996-10-29

    The present invention relates to a process to produce 1,3-diamino-2,4,6-trinitrobenzene (DATB) or 1,3,5-triamino-2,4,6,trinitrobenzene (TATB) by: (a) reacting at ambient pressure and a temperature of between about 0 and 50 C for between about 0.1 and 24 hr, a trinitroaromatic compound of the structure shown within where X, Y, and Z are each independently selected from --H, or --NH{sub 2}, with the proviso that at least 1 or 2 of X, Y, and Z are hydrogen, with an amount effective to produce DATB or TATB, or 1,1,1-trialkylhydrazinium halide wherein alkyl is selected from methyl, ethyl, propyl or butyl and halide is selected from chloride, bromide or iodide, in the presence of a strong base selected from sodium butoxide, potassium butoxide, potassium propoxide, sodium propoxide, sodium ethoxide, potassium ethoxide, sodium methoxide, potassium methoxide, and combinations thereof; in a solvent selected from the group consisting of methanol, ethanol, propanol, butanol, dimethylsulfoxide, N-methylpyrrolidone, hexamethylphosphoramide, dimethylformide, dimethylacetamide and mixtures thereof, provided that when alcohols are present primarily DATB and picramide is formed; and (b) isolating the DATB or TATB produced. DATB and TATB are useful specialty explosives. TATB is also used for the preparation of benzenehexamine, a starting material for the synthesis of novel materials (optical imaging devices, liquid crystals, ferromagnetic compounds).

  16. Dissolution and sorption of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and 2,4,6-trinitrotoluene (TNT) residues from detonated mineral surfaces.

    PubMed

    Jaramillo, Ashley M; Douglas, Thomas A; Walsh, Marianne E; Trainor, Thomas P

    2011-08-01

    Composition B (Comp B) is a commonly used military formulation composed of the toxic explosive compounds 2,4,6-trinitrotoluene (TNT), and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Numerous studies of the temporal fate of explosive compounds in soils, surface water and laboratory batch reactors have been conducted. However, most of these investigations relied on the application of explosive compounds to the media via aqueous addition and thus these studies do not provide information on the real world loading of explosive residues during detonation events. To address this we investigated the dissolution and sorption of TNT and RDX from Comp B residues loaded to pure mineral phases through controlled detonation. Mineral phases included nontronite, vermiculite, biotite and Ottawa sand (quartz with minor calcite). High Performance Liquid Chromatography and Attenuated Total Reflectance Fourier Transform Infrared spectroscopy were used to investigate the dissolution and sorption of TNT and RDX residues loaded onto the mineral surfaces. Detonation resulted in heterogeneous loading of TNT and RDX onto the mineral surfaces. Explosive compound residues dissolved rapidly (within 9 h) in all samples but maximum concentrations for TNT and RDX were not consistent over time due to precipitation from solution, sorption onto mineral surfaces, and/or chemical reactions between explosive compounds and mineral surfaces. We provide a conceptual model of the physical and chemical processes governing the fate of explosive compound residues in soil minerals controlled by sorption-desorption processes.

  17. Structure and mechanical properties of thin films deposited from 1,3,5-trimethyl-1,3,5-trivinylcyclotrisiloxane and water

    NASA Astrophysics Data System (ADS)

    Burkey, Daniel D.; Gleason, Karen K.

    2003-05-01

    Pulsed-plasma chemical vapor deposition of 1,3,5-trimethyl-1,3,5-trivinylcyclotrisiloxane (V3D3) and water produced thin films with significant Si-OH content. Subsequent annealing of the films resulted in condensation of proximal Si-OH groups, further generating a Si-O-Si network and strengthening the film. Fourier-transform infrared spectroscopy analysis showed increasing OH content with increasing plasma duty cycle, and nanoindentation results confirmed increasing hardness with duty cycle, with the 10-40 duty cycle annealed sample having a hardness value of 0.527 GPa. These results were explained within the context of the continuous random network theory and percolation of rigidity arguments. Thermal stability was excellent, with a best-case thickness retention of 99.25% after a 2 h anneal at 400 °C under N2. Dielectric constants for the annealed films ranged between 2.55 and 2.9. The moderate power involved (200 W peak) is amenable to inclusion of a porogen species, opening the possibility of using this methodology to generate a porous thin film with adequate mechanical properties via chemical vapor deposition.

  18. Structural and electronic properties of UnOm (n=1-3,m=1-3n) clusters: A theoretical study using screened hybrid density functional theory.

    PubMed

    Yang, Yu; Liu, Haitao; Zhang, Ping

    2016-05-14

    The structural and electronic properties of small uranium oxide clusters UnOm (n=1-3, m=1-3n) are systematically studied within the screened hybrid density functional theory. It is found that the formation of U-O-U bondings and isolated U-O bonds are energetically more stable than U-U bondings. As a result, no uranium cores are observed. Through fragmentation studies, we find that the UnOm clusters with the m/n ratio between 2 and 2.5 are very stable, hinting that UO2+x hyperoxides are energetically stable. Electronically, we find that the O-2p states always distribute in the deep energy range, and the U-5f states always distribute at the two sides of the Fermi level. The U-6d states mainly hybridize with the U-5f states in U-rich clusters, while hybridizing with O-2p states in O-rich clusters. Our work is the first one on the screened hybrid density functional theory level studying the atomic and electronic properties of the actinide oxide clusters.

  19. Molecular dynamics simulations of hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) using a combined Sorescu-Rice-Thompson AMBER force field.

    PubMed

    Agrawal, Paras M; Rice, Betsy M; Zheng, Lianqing; Thompson, Donald L

    2006-12-28

    We present the results of molecular dynamics simulations of crystalline hexahydro-1,3,5-trinitro-1,3,5-s-triazine (RDX) using the SRT-AMBER force field (P. M. Agrawal et al., J. Phys. Chem. B 2006, 110, 5721), which combines the rigid-molecule force field developed by Sorescu-Rice-Thompson (D. C. Sorescu, B. M. Rice, and D. L. Thompson, J. Phys. Chem. B 1997, 101, 798) with the intramolecular interactions obtained from the Generalized AMBER Force Field (Wang et al., J. Comput. Chem. 2004, 25, 1157). The calculated crystal density at room conditions is about 10% lower than the measured value, while the lattice parameters and thermodynamic melting point are within about 5% at ambient pressure. The chair and inverted chair conformation, bond lengths, and bond angles of the RDX molecule are accurately predicted; however, there are some inaccuracies in the calculated orientations of the NO2 groups. The SRT-AMBER force field predicts overall reasonable results, but modifications, probably in the torsional parameters, are needed for a more accurate force field.

  20. Electron shuttle-mediated biotransformation of hexahydro-1,3,5-trinitro-1,3,5-triazine adsorbed to granular activated carbon.

    PubMed

    Millerick, Kayleigh; Drew, Scott R; Finneran, Kevin T

    2013-08-06

    Granular activated carbon (GAC) effectively removes hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) from groundwater but generates RDX-laden GAC that must be disposed of or regenerated. Batch reactors containing GAC to which RDX was preadsorbed were used in experiments to test the potential for adsorbed RDX reduction and daughter product formation using (i) chemically reduced anthrahydroquinone-2,6-disulfonate (AH2QDS), (ii) resting Geobacter metallireducens strain GS-15, and (iii) a combined system containing AQDS and GS-15. Approximately 97.0% of the adsorbed RDX was transformed in each of these experimental systems by 90 h. Chemically reduced AQDS (AH2QDS) transformed 99.2% of adsorbed RDX; formaldehyde was produced rapidly and was stoichiometric (3 mol HCHO per mol RDX). Geobacter metallireducens also reduced RDX with and without AQDS present. This is the first study to demonstrate biological transformation of RDX adsorbed to GAC. Formaldehyde increased and then decreased in biological systems, suggesting a previously unreported capacity for G. metallireducens to oxidize formaldehyde, which was confirmed with resting cell suspensions. These data suggest the masses of GAC waste currently produced by activated carbon at RDX remediation sites can be minimized, decreasing the carbon footprint of the treatment technology. Alternatively, this strategy may be used to develop a Bio-GAC system for ex situ RDX treatment.

  1. Selenium deficiency induced damages and altered expressions of metalloproteinases and their inhibitors (MMP1/3, TIMP1/3) in the kidneys of growing rats.

    PubMed

    Han, Jing; Liang, Hua; Yi, Jianhua; Tan, Wuhong; He, Shulan; Wu, Xiaofang; Shi, Xiaowei; Ma, Jing; Guo, Xiong

    2016-03-01

    Selenium is an essential trace element for the maintenance of structures and functions of kidney. To evaluate the effects of low selenium on the kidneys of growing rats, newborn rats were fed with selenium deficient and normal diets respectively for 109 days. As a result, rats fed with low selenium diets resulted in a decline in the body weight and the concentration of selenium in the kidney, especially the male rats from the low selenium groups. Moreover, the ultrastructure of glomerulus and tubules were damaged in low selenium group: the glomeruli were observed with hyperplasia of mesangial cells, fusion of podocyte foot processes and thickening of basement membrane; and the tubules were observed with vacuolar degenerated epithelial cells, increased edema fluid or protein solution between cells, microvilli edema, increased cell gaps and decreased cell links. Furthermore, the pathological changes in selenium deficient group included the increase of fibers around renal hilum aorta and in the renal collecting duct, and shed of cells in the proximal convoluted tubules. In addition, up-regulated expressions of matrix metalloproteinases (MMP1/3) and down-regulated expressions of their inhibitors (TIMP1/3) at the mRNA and protein levels were also appeared to be relevant to low selenium. The results suggested that low selenium in diet may cause low selenium concentration in the kidney of growing rat and lead to damages of the ultrastructure and extracellular matrix (ECM) of kidney.

  2. Asymmetric 1,3-Dipolar Cycloaddition Reactions Catalyzed by Heterocycle-Based Metal Complexes

    NASA Astrophysics Data System (ADS)

    Suga, Hiroyuki

    Highly enantioselective 1,3-dipolar cycloaddition reactions of several 1,3-dipoles, such as nitrones, nitrile oxides, nitrile imines, diazoalkanes, azomethine imines and carbonyl ylides, catalyzed by heterocyclic supramolecular type of metal complexes consisting of chiral heterocyclic compounds and metal salts were described in terms of their ability of asymmetric induction and enantioface differentiation. The scope and limitations of each cycloaddition reactions were also briefly described. Of the chiral hererocycle-based ligands, chiral bisoxazoline, 2,6-bis(oxazolinyl)pyridine, and related oxazoline ligands are shown to be quite effective in obtaining high levels of asymmtric induction. The combination of the bisoxazoline ligand derived from (1S,2R)-cis-1-amino-2-indanol and metal salts was especially efficient for asymmetric cycloaddition reactions of a number of 1,3-dipoles, such as nitrones, nitrile oxide, nitrile imines, diazoacetates and azomethine imines. The metals utilized for the heterocycle-based complexes show a crucial role for degree of asymmetric induction depending upon the 1,3-dipole used. High levels of enantioselectivity were achieved in 1,3-dipolar cycloaddition reactions of unstable carbonyl ylides with benzyloxyacetaldehyde derivatives, α-keto esters, 3-(2-alkenoyl)-2-oxazolidinones, and even vinyl ethers, which were catalyzed by Pybox-lanthanoid metal complexes.

  3. Effect of sequential surface irrigations on field-scale emissions of 1,3-dichloropropene.

    PubMed

    Yates, S R; Knuteson, J; Ernst, F F; Zheng, W; Wang, Q

    2008-12-01

    A field experiment was conducted to measure subsurface movement and volatilization of 1,3-dichloropropene (1,3-D) after shank injection to an agricultural soil. The goal of this study was to evaluate the effect of sprinkler irrigation on the emissions of 1,3-D to the atmosphere and is based on recent research that has shown that saturating the soil pore space reduces gas-phase diffusion and leads to reduced volatilization rates. Aerodynamic, integrated horizontal flux, and theoretical profile shape methods were used to estimate fumigant volatilization rates and total emission losses. These methods provide estimates of the volatilization rate based on measurements of wind speed, temperature, and 1,3-D concentration in the atmosphere. The volatilization rate was measured continuously for 16 days, and the daily peak volatilization rates for the three methods ranged from 18 to 60 microg m(-2) s(-1). The total 13-D mass entering the atmosphere was approximately 44-68 kg ha(-1), or 10-15% of the applied active ingredient This represents approximately 30-50% reduction in the total emission losses compared to conventional fumigant applications in field and field-plot studies. Significant reduction in volatilization of 1,3-D was observed when five surface irrigations were applied to the field, one immediately after fumigation followed by daily irrigations.

  4. Emissions of 1,3-Dichloropropene and Chloropicrin after Soil Fumigation under Field Conditions.

    PubMed

    Yates, Scott R; Ashworth, Daniel J; Zheng, Wei; Zhang, Qiaoping; Knuteson, James; van Wessenbeeck, Ian J

    2015-06-10

    Soil fumigation is an important agronomic practice in the production of many high-value vegetable and fruit crops, but the use of chemical fumigants can lead to excessive atmospheric emissions. A large-scale (2.9 ha) field experiment was conducted to obtain volatilization and cumulative emission rates for two commonly used soil fumigants under typical agronomic practices: 1,3-dichloropropene (1,3-D) and chloropicrin. The aerodynamic method and the indirect back-calculation method using ISCST3 and CALPUFF dispersion models were used to estimate flux loss from the treated field. Over the course of the experiment, the daily peak volatilization rates ranged from 12 to 30 μg m(-2) s(-1) for 1,3-D and from 0.7 to 2.6 μg m(-2) s(-1) for chloropicrin. Depending on the method used for quantification, total emissions of 1,3-D and chloropicrin, respectively, ranged from 16 to 35% and from 0.3 to 1.3% of the applied fumigant. A soil incubation study showed that the low volatilization rates measured for chloropicrin were due to particularly high soil degradation rates observed at this field site. Understanding and quantifying fumigant emissions from agricultural soil will help in developing best management practices to reduce emission losses, reducing adverse impacts to human and ecosystem health, and providing inputs for conducting risk assessments.

  5. [Automatically feeding strategy for 1,3-propanediol fermentation of Klebsiella pneumoniae LDH526].

    PubMed

    Huang, Jinhai; Chen, Zhen; Sun, Yan; Liu, Dehua

    2015-10-01

    1,3-propanediol is an important chemical used as building block for the synthesis of highly promising polyesters such as polytrimethylene terephthalate. A genetically modified Klebsiella pneumoniae LDH526 can use glycerol as sole carbon source and produce 1,3-propanediol with the titer above 90 g/L. A key factor affecting the production of 1,3-propanediol by the mutant K. pneumoniae is the accurate control of the feeding of glycerol. To generate a robust and reproducible fermentation process of 1,3-propanediol, we designed and optimized an automatically feeding strategy of glycerol based on fermentation kinetics. By coupling the substrate feeding rate with easily observed variables -pH and fermentation time, we have achieved self-starting glycerol feeding and dynamic control of the glycerol concentration during the fermentation process. This automated system allowed us to generate a reproducible, consistent and operator-independent process from lab-scale to production scale. The final concentration of 1,3-propanediol was above 95 g/L after 72 h.

  6. Strain gauges of GaSbFeGa1.3 eutectic composites

    NASA Astrophysics Data System (ADS)

    Aliyev, M. I.; Khalilova, A. A.; Arasly, D. H.; Rahimov, R. N.; Tanoglu, M.; Ozyuzer, L.

    2004-12-01

    A needle-shaped metallic FeGa1.3 phase oriented in a specific direction and uniformly distributed within a GaSb matrix was grown by a vertical Bridgman method. Strain-gauge characteristics, such as strain-sensitivity coefficient (S), temperature coefficient of strain sensitivity (TCS) and temperature coefficient of resistance, of GaSb and GaSbFeGa1.3 eutectic alloy have been investigated in the range of 200 to 400 K under deformation up to strains of 1.3×10-3. The value of S of the GaSbFeGa1.3 composition is measured to be 40±5 and its TCS is about 0.2 % deg-1 when the current is perpendicular to the needles and the needles are parallel to the plane of the gauge substrate. The strain-sensitivity characteristics are linear and hysteresis free in the investigated temperature range in the aforementioned direction. It was found that GaSbFeGa1.3-based strain gauges possess better deformation characteristics than GaSb-based gauges.

  7. Dissociation of cephamycin C and clavulanic acid biosynthesis by 1,3-diaminopropane in Streptomyces clavuligerus.

    PubMed

    Leite, Carla A; Cavallieri, André P; Baptista, Amanda S; Araujo, Maria L G C

    2016-01-01

    Streptomyces clavuligerus produces simultaneously cephamycin C (CephC) and clavulanic acid (CA). Adding 1,3-diaminopropane to culture medium stimulates production of beta-lactam antibiotics. However, there are no studies on the influence of this diamine on coordinated production of CephC and CA. This study indicates that 1,3-diaminopropane can dissociate CephC and CA productions. Results indicated that low diamine concentrations (below 1.25 g l(-1)) in culture medium increased CA production by 200%, but not that of CephC. Conversely, CephC production increased by 300% when 10 g l(-1) 1,3-diaminopropane was added to culture medium. Addition of just L-lysine (18.3 g l(-1)) to culture medium increased both biocompounds. On the other hand, while L-lysine plus 7.5 g l(-1) 1,3-diaminopropane increased volumetric production of CephC by 1100%, its impact on CA production was insignificant. The combined results suggest that extracellular concentration of 1,3-diaminopropane may trigger the dissociation of CephC and CA biosynthesis in S. clavuligerus.

  8. Relaxing the coenzyme specificity of 1,3-propanediol oxidoreductase from Klebsiella pneumoniae by rational design.

    PubMed

    Ma, Chengwei; Zhang, Le; Dai, Jianying; Xiu, Zhilong

    2010-04-15

    1,3-Propanediol has wide applications for large volume markets, particularly in the polymer business. Microbial production of 1,3-propanediol has been considered as a competitor to the traditional petrochemical routes. However, the formation of 1,3-propanediol is limited by the amount of NADH supplied by the oxidative pathway of glycerol dismutation. Previous metabolic flux analysis revealed that relaxation of the coenzyme specificity of 1,3-propanediol oxidoreductase for both NADH and NADPH would increase the production of 1,3-propanediol as well as maintaining the NADH-NAD(+) circle. This work tried to accomplish such a relaxation by rational protein design. Overall binding free energy indicated that the electrostatic energy was the major force discriminating NADH from NADPH. Computational alanine-scanning mutagenesis of the active site residues illustrated that Asp41 was the key residue responsible for the coenzyme specificity. Compared with Asp41Ala, Asp41Gly could further weaken the repulsion between Asp41 and the phosphate group esterified to the 2'-hydroxyl group of the ribose at the adenine end of NADPH. Site-directed mutagenesis was conducted and the relaxation was successfully realized.

  9. Genome shuffling in Clostridium diolis DSM 15410 for improved 1,3-propanediol production.

    PubMed

    Otte, Burkhard; Grunwaldt, Eike; Mahmoud, Osama; Jennewein, Stefan

    2009-12-01

    Several microorganisms are known for their efficient anaerobic conversion of glycerol to 1,3-propanediol, with Clostridium diolis DSM 15410 as one of the better performers in terms of molar yield and volumetric productivity. However, this performance is still insufficient to compete with established chemical processes. Previous studies have shown that high concentrations of 1,3-propanediol, glycerol, and fermentation side products can limit the productivity of C. diolis DSM 15410. Here, we describe the use of genome shuffling for improved 1,3-propanediol fermentation by the strict anaerobe C. diolis DSM 15410. By using chemical mutagenesis, strains with superior substrate and product tolerance levels were isolated and higher product yields were obtained. These superior strains were then used for genome shuffling and selection for 1,3-propanediol and organic acid tolerance. After four rounds of genome shuffling and selection, significant improvements were observed, with one strain attaining a 1,3-propanediol volumetric yield of 85 g/liter. This result represents an 80% improvement compared to the yield from the parental wild-type strain.

  10. Effect of cell immobilization on the production of 1,3-propanediol.

    PubMed

    Gungormusler, Mine; Gonen, Cagdas; Azbar, Nuri

    2013-09-25

    Immobilized cultures of locally isolated Klebsiella pneumoniae (GenBank no: 27F HM063413) were employed in the continuous production of the high value added biomonomer, 1,3-propanediol from waste glycerol. The effect of hydraulic retention time (HRT) was tested by increasing the dilution rate gradually. Three different immobilization materials (stainless steel wire, glass raschig ring and Vukopor(®)) were tested. The highest productivity was reported with the reactor filled with stainless steel wire as 4.8 g/(L hours) and the highest 1,3-propanediol concentration was 17.9 g/L when glass raschig rings were used as the packing material with the HRTs of 0.5 hours and 1.5 hours, respectively. Compared to the suspended culture system 1,3-propanediol production was more resistant to shorter hydraulic retention times that leads to higher 1,3-PDO productivities. All three of the materials are good candidates for immobilization purpose; however, stainless steel wire and Vukopor(®) are better support materials in terms of productivities. The results reported in this study revealed that continuous fermentation in a packed-bed bioreactor system is a suitable method to enhance 1,3-propanediol production.

  11. β-1,3-Glucans are components of brown seaweed (Phaeophyceae) cell walls.

    PubMed

    Raimundo, Sandra Cristina; Pattathil, Sivakumar; Eberhard, Stefan; Hahn, Michael G; Popper, Zoë A

    2017-03-01

    LAMP is a cell wall-directed monoclonal antibody (mAb) that recognizes a β-(1,3)-glucan epitope. It has primarily been used in the immunolocalization of callose in vascular plant cell wall research. It was generated against a brown seaweed storage polysaccharide, laminarin, although it has not often been applied in algal research. We conducted in vitro (glycome profiling of cell wall extracts) and in situ (immunolabeling of sections) studies on the brown seaweeds Fucus vesiculosus (Fucales) and Laminaria digitata (Laminariales). Although glycome profiling did not give a positive signal with the LAMP mAb, this antibody clearly detected the presence of the β-(1,3)-glucan in situ, showing that this epitope is a constituent of these brown algal cell walls. In F. vesiculosus, the β-(1,3)-glucan epitope was present throughout the cell walls in all thallus parts; in L. digitata, the epitope was restricted to the sieve plates of the conductive elements. The sieve plate walls also stained with aniline blue, a fluorochrome used as a probe for callose. Enzymatic digestion with an endo-β-(1,3)-glucanase removed the ability of the LAMP mAb to label the cell walls. Thus, β-(1,3)-glucans are structural polysaccharides of F. vesiculosus cell walls and are integral components of the sieve plates in these brown seaweeds, reminiscent of plant callose.

  12. Significance of 1,3-butadiene to the US air toxics regulatory effort.

    PubMed

    Morrow, N L

    2001-06-01

    Because of its prevalence, particularly as a combustion by-product, 1,3-butadiene is a particularly important air toxic. It plays a significant role in all air toxics regulatory efforts in the US. The various requirements of the Federal Clean Air Act (CAA) dealing with air toxics are reviewed and the significance of 1,3-butadiene in each area is discussed in light of what is known about its emissions and health effects. The impacts of the changes in the understanding of 1,3-butadiene cancer potency over the past 15 years demonstrates the possible impact of such benchmarks and the importance of using the best science in understanding public health risks.

  13. 1,3-Propanediol:NAD+ oxidoreductases of Lactobacillus brevis and Lactobacillus buchneri.

    PubMed

    Veiga-da-Cunha, M; Foster, M A

    1992-06-01

    In the cofermentation of glycerol with a sugar by Lactobacillus brevis and Lactobacillus buchneri, a 1,3-propanediol:NAD+ oxidoreductase provides an additional method of NADH disposal. The enzyme has been purified from both L. brevis B22 and L. buchneri B190 and found to have properties very similar to those reported for the enzyme from Klebsiella pneumoniae. The enzymes required Mn2+ and are probably octamers with a molecular mass of 350 kDa. Although not absolutely specific for 1,3-propanediol when tested as dehydrogenases, the enzymes have less than 10% activity with glycerol, ethanol, and 1,2-propanediol. These properties contrast sharply with those of a protein isolated from another Lactobacillus species (L. reuteri) that ferments glycerol with glucose and previously designated a 1,3-propanediol dehydrogenase.

  14. 1,3-Propanediol:NAD+ oxidoreductases of Lactobacillus brevis and Lactobacillus buchneri.

    PubMed Central

    Veiga-da-Cunha, M; Foster, M A

    1992-01-01

    In the cofermentation of glycerol with a sugar by Lactobacillus brevis and Lactobacillus buchneri, a 1,3-propanediol:NAD+ oxidoreductase provides an additional method of NADH disposal. The enzyme has been purified from both L. brevis B22 and L. buchneri B190 and found to have properties very similar to those reported for the enzyme from Klebsiella pneumoniae. The enzymes required Mn2+ and are probably octamers with a molecular mass of 350 kDa. Although not absolutely specific for 1,3-propanediol when tested as dehydrogenases, the enzymes have less than 10% activity with glycerol, ethanol, and 1,2-propanediol. These properties contrast sharply with those of a protein isolated from another Lactobacillus species (L. reuteri) that ferments glycerol with glucose and previously designated a 1,3-propanediol dehydrogenase. Images PMID:1622279

  15. Silicon-containing alka-1,3-dienes and their functional derivatives in organic synthesis

    NASA Astrophysics Data System (ADS)

    Stadnichuk, M. D.; Voropaeva, T. I.

    1995-01-01

    Data on the synthesis and chemical reactions of silicon-containing 1,3-dienes are surveyed for the first time in the present review. It is shown that the addition reactions of 1- and 2-triorganosilylalka-1,3-dienes and their derivatives are the most interesting and promising in fine organic synthesis. The application of the trialkylsilyl group as a protecting group and as a new reaction centre, which makes it possible to obtain carbon-carbon or carbon-heteroatom bonds, is examined. It has been found that the double bonds remote from the silicon atom are the most reactive in addition reactions and that regardless of the nature of the reagent the attacking species always binds to the terminal carbon atom of the buta-1,3-diene fragment. The bibliography includes 329 references.

  16. Electrochemical synthesis of novel 1,3-indandione derivatives and evaluation of their antiplatelet aggregation activities.

    PubMed

    Amidi, Salimeh; Kobarfard, Farzad; Bayandori Moghaddam, Abdolmajid; Tabib, Kimia; Soleymani, Zohreh

    2013-01-01

    Electrochemical oxidation of some selected catechol derivatives, using cyclic voltammetry, in the presence of different 2-aryl-1,3-indandiones as nucleophiles, resulted in electrochemical synthesis of new 1,3- indandione derivatives in an undivided cell in good yield and purity. A Michael addition mechanism was proposed for the formation of the analogs based on the reaction conditions which were provided in electrochemical cell. The in-vitro antiplatelet and anticoagulant activity of these compounds was evaluated, using arachidonic acid (AA) and adenosine diphosphate (ADP) as the platelet aggregation inducers. The results show that the incorporation of catechol ring in 1,3-indandione nucleus leads to the emergence of antiplatelet aggregation activity in these compounds. The compounds may exert their antiaggregation activity by interfering with the arachidonic acid pathway.

  17. Electrochemical Synthesis of Novel 1,3-Indandione Derivatives and Evaluation of Their Antiplatelet Aggregation Activities

    PubMed Central

    Amidi, Salimeh; Kobarfard, Farzad; Bayandori Moghaddam, Abdolmajid; Tabib, Kimia; Soleymani, Zohreh

    2013-01-01

    Electrochemical oxidation of some selected catechol derivatives, using cyclic voltammetry, in the presence of different 2-aryl-1,3-indandiones as nucleophiles, resulted in electrochemical synthesis of new 1,3- indandione derivatives in an undivided cell in good yield and purity. A Michael addition mechanism was proposed for the formation of the analogs based on the reaction conditions which were provided in electrochemical cell. The in-vitro antiplatelet and anticoagulant activity of these compounds was evaluated, using arachidonic acid (AA) and adenosine diphosphate (ADP) as the platelet aggregation inducers. The results show that the incorporation of catechol ring in 1,3-indandione nucleus leads to the emergence of antiplatelet aggregation activity in these compounds. The compounds may exert their antiaggregation activity by interfering with the arachidonic acid pathway. PMID:24250677

  18. Quantitative analysis of the interaction between lysozyme and monoclonal antibody D1.3.

    PubMed

    McInerney, T L; Howlett, G J; Gruen, L C; Jackson, D C

    1993-01-01

    The method of sedimentation equilibrium has been used to determine the stoichiometry and binding constant for the interaction between hen egg white lysozyme and monoclonal antibody D1.3. The procedures described allow the relative binding affinities of 125I-labelled lysozyme and unlabelled lysozyme to be compared. The data indicate that labelled and unlabelled lysozyme bind to monoclonal D1.3 with similar affinity (binding constant, K = 1.6 x 10(9)/M). Using solid-phase methods estimates obtained for the binding constant were lower and dependent both on the amount of antigen coated on the plate and the dilution of primary antibody (D1.3). These data were not consistent with a simple equilibrium binding model, suggesting kinetic or orientation effects. In contrast sedimentation equilibrium experiments provide a rapid and accurate method for determining both the stoichiometry and binding constants for the interaction between antigens and antibodies.

  19. Planar cell polarity genes, Celsr1-3, in neural development.

    PubMed

    Feng, Jia; Han, Qi; Zhou, Libing

    2012-06-01

    flamingo is among the 'core' planar cell-polarity genes, protein of which belongs to a unique cadherin subfamily. In contrast to the classic cadherins, composed of several extracellular cadherin repeats, one transmembrane domain and one cytoplasmic segment linked to catenin binding, Drosophila Flamingo has seven transmembrane segments and a cytoplasmic tail with no catenin-binding sequence. In Drosophila, Flamingo has pleotropic roles in controlling epithelial polarity and neuronal morphogenesis. Three mammalian orthologs of flamingo, Celsr1-3, are widely expressed in the nervous system. Recent work has shown that Celsr1-3 play important roles in neural development, such as in axon guidance, neuronal migration, and cilium polarity. Celsr1-3 single-gene knockout mice exhibit different phenotypes, but there are cooperative interactions among these genes.

  20. An investigation of cavitation in a mechanically alloyed 15 vol % SiCp/IN9021 aluminum composite

    SciTech Connect

    Higashi, K.; Okada, T.; Mukai, T.; Tanimura, S.; Nieh, T.G.; Wadsworth, J.

    1993-07-01

    A mechanically alloyed 15 vol % SiCp/IN9021 aluminum composite exhibited a maximum elongation of 610 % at a very high strain of 5 s{sup {minus}1} at 823 K. Nonetheless, the maximum elongation was obtained at a lower strain rate than that where the maximum m value (about 0.5) was obtained. This discrepancy between the optimum superplastic strain rate for the largest elongation and the strain rate for the maximum m value was believed to be associated with the cavitation behavior. Cavitation behavior of the SiCp/IN9021 aluminum composite was, therefore, carried out. It was found that cavities initiated at ends of particulate reinforcements and parallel to the applied stress direction within initial small strains, and their subsequent growth and coalescence invariably leads to premature failure. Experimental results indicated that cavity growth is plasticity controlled and can be described by a model proposed by Stowell.

  1. Diffusion Brazing of Al6061/15 Vol. Pct Al2O3p Using a Cu-Sn Interlayer

    NASA Astrophysics Data System (ADS)

    Cooke, Kavian O.; Khan, Tahir I.; Oliver, Gossett D.

    2013-06-01

    Diffusion brazing of Al-6061 alloy containing 15 vol. pct Al2O3 particles was attempted using Cu-Sn interlayer. Joint formation was attributed to the solid-state interdiffusion of Cu and Sn followed by eutectic formation and subsequent isothermal solidification. Examination of the joint region using scanning electron microprobe analyzer (EPMA), wavelength dispersive spectroscopy (WDS) and X-ray diffraction (XRD) showed the formation of intermetallic phases such as Al7Cu3Mg3, Mg2Cu6Al5, Cu3Sn, and Mg2Sn. The results indicated an increase in joint strength with increasing bonding time giving the highest joint shear strength of 94 MPa at a bonding duration of 3 hours.

  2. Piezoelectric properties and temperature stability of Mn-doped Pb(Mg1/3Nb2/3)-PbZrO3-PbTiO3 textured ceramics

    NASA Astrophysics Data System (ADS)

    Yan, Yongke; Cho, Kyung-Hoon; Priya, Shashank

    2012-03-01

    In this letter, we report the electromechanical properties of textured 0.4Pb(Mg1/3Nb2/3)O3-0.25PbZrO3-0.35PbTiO3 (PMN-PZT) composition which has relatively high rhombohedral to tetragonal (R-T) transition temperature (TR-T of 160 °C) and Curie temperature (TC of 234 °C) and explore the effect of Mn-doping on this composition. It was found that MnO2-doped textured PMN-PZT ceramics with 5 vol. % BaTiO3 template (T-5BT) exhibited inferior temperature stability. The coupling factor (k31) of T-5BT ceramic started to degrade from 75 °C while the random counterpart showed a very stable tendency up to 180 °C. This degradation was associated with the "interface region" formed in the vicinity of BT template. MnO2 doped PMN-PZT ceramics textured with 3 vol. % BT and subsequently poled at 140 °C (T-3BT140) exhibited very stable and high k31 (>0.53) in a wide temperature range from room temperature to 130 °C through reduction in the interface region volume. Further, the T-3BT140 ceramic exhibited excellent hard and soft combinatory piezoelectric properties of d33 = 720 pC/N, k31 = 0.53, Qm = 403, tan δ = 0.3% which are very promising for high power and magnetoelectric applications.

  3. Recombinant β-1,3-1,4-glucanase from Theobroma cacao impairs Moniliophthora perniciosa mycelial growth.

    PubMed

    Britto, Dahyana Santos; Pirovani, Carlos Priminho; Andrade, Bruno Silva; Dos Santos, Tassiara Pereira; Pungartnik, Cristina; Cascardo, Júlio Cezar M; Micheli, Fabienne; Gesteira, Abelmon S

    2013-09-01

    In this work, we identified a gene from Theobroma cacao L. genome and cDNA libraries, named TcGlu2, that encodes a β-1,3-1,4-glucanase. The TcGlu2 ORF was 720 bp in length and encoded a polypeptide of 239 amino acids with a molecular mass of 25.58 kDa. TcGlu2 contains a conserved domain characteristic of β-1,3-1,4-glucanases and presented high protein identity with β-1,3-1,4-glucanases from other plant species. Molecular modeling of TcGlu2 showed an active site of 13 amino acids typical of glucanase with β-1,3 and 1,4 action mode. The recombinant cDNA TcGlu2 obtained by heterologous expression in Escherichia coli and whose sequence was confirmed by mass spectrometry, has a molecular mass of about 22 kDa (with His-Tag) and showed antifungal activity against the fungus Moniliophthora perniciosa, causal agent of the witches' broom disease in cacao. The integrity of the hyphae membranes of M. perniciosa, incubated with protein TcGlu2, was analyzed with propidium iodide. After 1 h of incubation, a strong fluorescence emitted by the hyphae indicating the hydrolysis of the membrane by TcGlu2, was observed. To our knowledge, this is the first study of a cacao β-1,3-1,4-glucanase expression in heterologous system and the first analysis showing the antifungal activity of a β-1,3-1,4-glucanase, in particular against M. perniciosa.

  4. Evaporative emissions of 1,3-butadiene from petrol-fuelled motor vehicles

    NASA Astrophysics Data System (ADS)

    Ye, Y.; Galbally, I. E.; Weeks, I. A.; Duffy, B. L.; Nelson, P. F.

    This study reports the identification and quantification of 1,3-butadiene in petrol and in the evaporative emissions from Australian light-duty passenger vehicles. The mass fraction of 1,3-butadiene in each of the different grades of any brand of Australian petrol was found to be relatively constant for a given marketing area. However, the mass fractions vary significantly between the different brands (or refineries) from 0.004±0.001% to 0.047±0.008%. The measurements of the evaporative emissions of 1,3-butadiene from in-service motor vehicles were performed using standard Australian Design Rule 37/00 (ADR 37/00) Sealed Housing Evaporative Determination (SHED) tests. For post-1985 catalyst equipped vehicles fuelled with unleaded petrol, average evaporative emissions of 1,3-butadiene were 9.4 (0.7-22) and 5.0 (0.1-23) mg per test for diurnal and hot soak SHED tests, respectively. The corresponding average evaporative emissions for the older, pre-1986 non-catalyst equipped vehicles fuelled with leaded petrol were 26.5 (11.7-45.4) and 9.2 (4.3-13.1) mg per test, respectively, about double the observed emissions from newer vehicles. For the complete vehicle set (all ages), the average mass fraction of 1,3-butadiene in the total hydrocarbon (sum of C 1-C 10 hydrocarbons) emission was 0.21±0.14% from the diurnal phase and was 0.11±0.06% from the hot-soak phase. Evaporative emissions were estimated to contribute about 4% (ranging from 1-15%) of the total (exhaust and evaporative) emissions of 1,3-butadiene from Australian motor vehicles.

  5. Oxovanadium(V) 1,3-propanediolate chloride complexes: Tetrameric clusters

    SciTech Connect

    Crans, D.C.; Marshman, R.W.; Gottlieb, M.S.; Anderson, O.P.; Miller, M.M. )

    1992-11-25

    Structural, spectroscopic, and catalytic studies of oxovanadium-(V) alkoxide chlorides have shown that these compounds are monomeric and exhibit activities as oxidation catalysts and Lewis acids. The structure of the reaction product of VOCl[sub 3] and various 1,3-propanediol derivatives was characterized in solution at various temperatures using multinuclear NMR spectroscopy. Although oxovanadium dialkoxide chlorides tend to be monomeric, 1,3-propanediol derivatives induce cluster formation generating tetrameric complexes with a molecular formula of (VOC1L)[sub 4] (where L is bidentate). The 1,3-propanediol derivatives preferred to bridge over two (or three) vanadium atoms rather than form a cyclic six-membered ring on one vanadium atom as found with the corresponding phosphorus compounds. When the 1,3-propanediol ligand was asymmetric, several complexes were observed in solution. A hydrolysis product was characterized by X-ray crystallography. The compound crystallizes in the triclinic space group P[bar 1] with a = 10.003 (2) [Angstrom], b = 11.462 (3) [Angstrom], c = 11.699 (2) [Angstrom], [alpha] = 65.72 (2)[degrees], [beta] = 79.81 (2)[degrees], [gamma] = 81.89 (2) [degrees], V = 1199.7 (4) [Angstrom][sup 3], and Z = 1. The correlation between solution and solid-state structure was determined, and a possible pathway to the hydrolysis product was suggested. Vanadium is used as a reagent in organic synthesis; however, these studies suggest that altered reactivities may surface in the presence of 1,3-propanediol ligands or substrates. The studies show that the analogy between phosphorus and vanadium breaks down in complexes containing 1,3-propanediol derivatives, reducing the prospects of chemically preparing vanadium analogs of cAMP.

  6. Tityustoxin-K(alpha) blockade of the voltage-gated potassium channel Kv1.3

    PubMed Central

    Rodrigues, Aldo Rogelis A; Arantes, Eliane C; Monje, Francisco; Stuhmer, Walter; Varanda, Wamberto Antonio

    2003-01-01

    We investigated the action of TsTX-Kα on cloned Kv1.3 channels of the Shaker subfamily of voltage-gated potassium channels, using the voltage–clamp technique. Highly purified TsTX-Kα was obtained from the venom of the Brazilian scorpion Tityus serrulatus using a new purification protocol. Our results show that TsTX-Kα blocks Kv1.3 with high affinity in two expression systems. TsTX-Kα blockade of Kv1.3 channels expressed in Xenopus oocytes was found to be completely reversible and to exhibit a pH dependence. The KD was 3.9 nM at pH 7.5, 9.5 nM at pH 7.0 and 94.5 nM at pH 6.5. The blocking properties of TsTX-Kα in a mammalian cell line (L929), stably transfected to express Kv1.3, were studied using the patch–clamp technique. In this preparation, the toxin had a KD of 19.8 nM at pH 7.4. TsTX-Kα was found to affect neither the voltage-dependence of activation, nor the activation and deactivation time constants. The block appeared to be independent of the transmembrane voltage and the toxin did not interfere with the C-type inactivation process. Taken as a whole, our findings indicate that TsTX-Kα acts as a simple blocker of Kv1.3 channels. It is concluded that this toxin is a useful tool for probing not only the physiological roles of Kv1.2, but also those mediated by Kv1.3 channels. PMID:12871837

  7. Tandem Intramolecular Diels-Alder/1,3-Dipolar Cycloaddition Cascade of 1,3,4-Oxadiazoles: Initial Scope and Applications.

    PubMed

    Sears, Justin E; Boger, Dale L

    2016-02-16

    A summary of the development and initial studies on the scope of a powerful tandem intramolecular [4 + 2]/[3 + 2] cycloaddition cascade of 1,3,4-oxadiazoles is detailed and provides the foundation for its subsequent use in organic synthesis. Implemented with substrates in which both the initiating dienophile and subsequent dipolarophile are tethered to the 1,3,4-oxadiazoles, the studies expanded the scope of oxadiazoles that participate in the reaction cascade, permitted the use of differentiated dienophiles and dipolarophiles, extended their use to unsymmetrical dienophiles and dipolarophiles, provided exclusive control of the cycloaddition regioselectivities, and imposed exquisite control on the cycloaddition stereochemistry. As key reactivity and stereochemical features of the reactions were being defined, the cascade cycloaddition reaction was implemented in the total synthesis of a series of alkaloids including (-)-vindoline, (-)-vindorosine, the closely related natural products (+)-4-desacetoxyvindoline and (+)-4-desacetoxyvindorosine, natural minovine, (+)-N-methylaspidospermidine, (+)-spegazzinine, (-)-aspidospermine, and a number of key analogues. Most recently, it was used in the divergent total syntheses of (+)-fendleridine, (-)-kopsinine, (-)-kopsifoline D, and (-)-deoxoapodine, in which four different strategic bonds in four different classes of the hexacyclic alkaloids were formed from a common cascade cycloaddition intermediate. A large number of vindoline analogues were prepared by variations on the cascade cycloaddition reaction for single step incorporation into analogues of vinblastine. These structural changes to vindoline permitted both systematic alterations to the peripheral substituents as well as deep-seated changes to the core structure and embedded functionality of vinblastine not previously accessible. Although explored initially for accessing vindoline and vinblastine, the use of the cycloaddition cascade in the total synthesis of an

  8. Tandem Intramolecular Diels–Alder/1,3-Dipolar Cycloaddition Cascade of 1,3,4-Oxadiazoles: Initial Scope and Applications

    PubMed Central

    Sears, Justin E.

    2016-01-01

    Conspectus A summary of the development and initial studies on the scope of a powerful tandem intramolecular [4 + 2]/[3 + 2] cycloaddition cascade of 1,3,4-oxadiazoles is detailed and provides the foundation for its subsequent use in organic synthesis. Implemented with substrates in which both the initiating dienophile and subsequent dipolarophile are tethered to the 1,3,4-oxadiazoles, the studies expanded the scope of oxadiazoles that participate in the reaction cascade, permitted the use of differentiated dienophiles and dipolarophiles, extended their use to unsymmetrical dienophiles and dipolarophiles, provided exclusive control of the cycloaddition regioselectivities, and imposed exquisite control on the cycloaddition stereochemistry. As key reactivity and stereochemical features of the reactions were being defined, the cascade cycloaddition reaction was implemented in the total synthesis of a series of alkaloids including (−)-vindoline, (−)-vindorosine, the closely related natural products (+)-4-desacetoxyvindoline and (+)-4-desacetoxyvindorosine, natural minovine, (+)-N-methylaspidospermidine, (+)-spegazzinine, (−)-aspidospermine, and a number of key analogues. Most recently it was used in the divergent total syntheses of (+)-fendleridine, (−)-kopsinine, (−)-kopsifoline D, and (−)-deoxoapodine, in which four different strategic bonds in four different classes of the hexacyclic alkaloids were formed from a common cascade cycloaddition intermediate. A large number of vindoline analogues were prepared by variations on the cascade cycloaddition reaction for single step incorporation into analogues of vinblastine. These structural changes to vindoline permitted both systematic alterations to the peripheral substituents as well as deep-seated changes to the core structure and embedded functionality of vinblastine not previously accessible. Although explored initially for accessing vindoline and vinblastine, the use of the cycloaddition cascade in the

  9. On the kinetics and energetics of one-electron oxidation of 1,3,5-triazines.

    PubMed

    Azenha, M E D G; Burrows, H D; Canle, M; Coimbra, R; Fernández, M I; García, M V; Rodrigues, A E; Santaballa, J A; Steenken, S

    2003-01-07

    One-electron oxidation of 1,3,5-triazines is observed with both excited uranyl ion (*UO2(2+)) and sulfate radical anion (SO4.-) in aqueous solution, but not with Tl2+, indicating that the standard reduction potentials E degree of 1,3,5-triazine radical cations are = 2.3 +/- 0.1 V vs. NHE, consistent with theoretical calculations; this suggests that if triazines inhibit electron transfer during photosynthesis, they would need to act on the reductive part of the electron transport chain.

  10. Enhanced econazole penetration into human nail by 2-n-nonyl-1,3-dioxolane.

    PubMed

    Hui, Xiaoying; Chan, Thomas C K; Barbadillo, Sherry; Lee, Christine; Maibach, Howard I; Wester, Ronald C

    2003-01-01

    This study determines the enhancing effects of 2-n-nonyl-1,3-dioxolane on the penetration of econazole, an antifungal drug, into the deeper layers of the human nail where fungal infection resides. Aliquots (10 microL) of Econail lacquer formulation containing 0.45 mg of [(14)C]-econazole with 18% 2-n-nonyl-1,3-dioxolane (test group) or without 2-n-nonyl-1,3-dioxolane (control group) were applied twice daily for 14 days to human nails that had been washed with ethanol before each morning's application. The hydration of the nail sample was well controlled to simulate normal physiological conditions. After 14 days of dosing, the inner ventral section of the nail plate was assayed for absorbed drug content, using a micrometer-controlled drilling and nail powder removal system. The mass balance values of [(14)C]-econazole in this study were 90.8 and 96.4% for the test and control groups, respectively. The weight-normalized econazole content in the ventral/intermediate nail plate center in the test group was 6-fold greater than that in the control (p = 0.008). The total econazole absorbed into the supporting bed cotton ball in the test group was nearly 200-fold greater than that in the control group (p = 0.008) over the 14-day period. The amount of econazole after dosing in the inner part of the human nail (potential diseased area) was 11.1 +/- 2.6 (SD) microg/mg of nail powder with 2-n-nonyl-1,3-dioxolane in the lacquer and 1.78 +/- 0.32 microg/mg without 2-n-nonyl-1,3-dioxolane (p = 0.008). The surface nail contained more econazole (p = 0.004), that is, nonabsorbed drug, where 2-n-nonyl-1,3-dioxolane was not part of the dosing solution. Econazole in the support bed under the nail (the total absorbed dose) was 47.5 +/- 22.0 mg in the lacquer with 2-n-nonyl-1,3-dioxolane and 0.2 +/- 0.1 mg in the lacquer without 2-n-nonyl-1,3-dioxolane (p = 0.008). Moreover the concentration in the deep nail layer in the test group is 14,000 times higher than minimum inhibitory

  11. Multicomponent synthesis of 3,6-dihydro-2H-1,3-thiazine-2-thiones.

    PubMed

    Kruithof, Art; Ploeger, Marten L; Janssen, Elwin; Helliwell, Madeleine; de Kanter, Frans J J; Ruijter, Eelco; Orru, Romano V A

    2012-02-08

    Non-fused 3,6-dihydro-2H-1,3-thiazine-2-thiones constitute a so far rather unexplored class of compounds, with the latest report dating back more than two decades. Thiazine-2-thiones contain an endocyclic dithiocarbamate group, which is often found in pesticides, in substrates for radical chemistry and in synthetic intermediates towards thioureas and amidines. We now report the multicomponent reaction (MCR) of in situ-generated 1-azadienes with carbon disulfide. With this reaction, a one-step protocol towards the potentially interesting 3,6-dihydro-2H-1,3-thiazine-2-thiones was established and a small library was synthesized.

  12. Spectroscopic Studies of Fluorescence Effects in Bioactive 4-(5-Heptyl-1,3,4-Thiadiazol-2-yl)Benzene-1,3-Diol and 4-(5-Methyl-1,3,4-Thiadiazol-2-yl)Benzene-1,3-Diol Molecules Induced by pH Changes in Aqueous Solutions.

    PubMed

    Matwijczuk, Arkadiusz; Kluczyk, Dariusz; Górecki, Andrzej; Niewiadomy, Andrzej; Gagoś, Mariusz

    2017-03-01

    This paper presents the results of stationary fluorescence spectroscopy and time-resolved spectroscopy analyses of two 1,3,4-thiadiazole analogues, i.e. 4-(5-methyl-1,3,4-thiadiazol-2-yl)benzene-1,3-diol (C1) and 4-(5-heptyl-1,3,4-thiadiazol-2-yl)benzene-1,3-diol (C7) in an aqueous medium containing different concentrations of hydrogen ions. An interesting dual florescence effect was observed when both compounds were dissolved in aqueous solutions at pH below 7 for C1 and 7.5 for C7. In turn, for C1 and C7 dissolved in water at pH higher than the physiological value (mentioned above), single fluorescence was only noted. Based on previous results of investigations of the selected 1,3,4-thiadiazole compounds, it was noted that the presented effects were associated with both conformational changes in the analysed molecules and charge transfer (CT) effects, which were influenced by the aggregation factor. However, in the case of C1 and C7, the dual fluorescence effects were visible in a higher energetic region (different than that observed in the 1,3,4-thiadiazoles studied previously). Measurements of the fluorescence lifetimes in a medium characterised by different concentrations of hydrogen ions revealed clear lengthening of the excited-state lifetime in a pH range at which dual fluorescence effects can be observed. An important finding of the investigations presented in this article is the fact that the spectroscopic effects observed not only are interesting from the cognitive point of view but also can help in development of an appropriate theoretical model of molecular interactions responsible for the dual fluorescence effects in the analysed 1,3,4-thiadiazoles. Furthermore, the study will clarify a broad range of biological and pharmaceutical applications of these compounds, which are more frequently used in clinical therapies. Graphical Abstract Upper left corner - C7 molecule at high pH, right upper corner - fluorescence emission spectrum for C7 dissolved in H2

  13. Syntheses and Degradations of Fluorinated Heterocyclics. 3; Perfluoroalkyl and Perfluoroalkylether-1,3,4-Oxadiazoles

    NASA Technical Reports Server (NTRS)

    Paciorek, K. J. L.; Kaufman, J.; Nakahara, J. H.; Ito, T. I.; Kratzer, R. H.; Rosser, R. W.; Parker, J. A.

    1977-01-01

    2,5-Bis(perfluoro-n-heptyl)-, 2-perfluoroalkylether-5-perfluoro-n- heptyl- , and 2 , 5-bisperfluoroalkylether-1,3,4-oxadiazoles were synthesized and characterized. 2,5-Bis(perfluoro-n-heptyl)-1,3,4-oxadiazole was thermally and hydrolytically stable at 325 C; however, in the presence of air, degradation took place at 235 C. The perfluoroalkylether analogue exhibited thermal and hydrolytic stability at 325 C; it was found to be unaffected by jet-A fuel and air at 235 C. At 325 C in air some degradation occurred as evidenced by volatiles production, oxygen consumption, and 96% starting material recovery.

  14. The use of 2-(1-alkoxyalkylidene)-1,3-dicarbonyl compounds in organic synthesis

    NASA Astrophysics Data System (ADS)

    Kudyakova, Yu S.; Bazhin, D. N.; Goryaeva, M. V.; Burgart, Ya V.; Saloutin, V. I.

    2014-02-01

    The review focuses on the methods of synthesis of 2-(1-alkoxyalkylidene)-1,3-dicarbonyl compounds and their chemical transformations. The reactivity of such compounds toward various mono- and dinucleophilic reagents is considered. The potential of these compounds for synthesis of different acyclic, carbo- and heterocyclic molecules is demonstrated. Special attention is paid to the practical use of 2-(1-alkoxyalkylidene)-1,3-dicarbonyl compounds and their derivatives, which are of interest in medicine and for design of new materials. The bibliography includes 226 references. This review is dedicated to Academician Oleg Nikolaevich Chupakhin on the occasion of his 80th birthday.

  15. Adsorption-desorption of 2,4,6-trinitrotoluene and hexahydro-1,3,5-trinitro-1,3,5-triazine in soils

    SciTech Connect

    Xue, S.K.; Selim, H.M.; Iskandar, I.K.

    1995-11-01

    This study studied the adsorption-desorption behavior of TNT (2, 4, 6-trinitrotoluene) and RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) in a bentonite/sand reference material (Swy-1 montmorillonite clay mixed with acid-washed sand) and two selected soils (Norwood and Kolin). Release of TNT,RDX, and other compounds from a contaminated soil obtained from the Louisiana Army Ammunition Plant (AAP) site was also investigated. The kinetics of TNT and RDX retention were measured using batch methods for a range of input concentrations. For RDX, the adsorption isotherms were distinctly linear. The TNT adsorption isotherm for bentonite/sand mixture appeared linear and was described equally well using linear, Freundlich, Langmuir, and a modified Langmuir model. For the Norwood and Kolin soils, TNT adsorption isotherms exhibited distinct nonlinearity and the Freundlich model provided the best fit. As indicated by the K{sub d} values, TNT exhibited stronger retention or affinity to all soils and the bentonite/sand mixture than for RDX. The RDX retention data indicated little time-dependent behavior. The TNT retention data indicated a continued decrease in TNT concentration with time in the Norwood and Kolin soils. This was possibly caused by the formation and subsequent adsorption of transformation products because transformation products, such as amino nitro toluene compounds, were identified during batch experiments. For the bentonite/sand mixture, TNT retention was rapid initially and reached apparent equilibrium within 1 day. Unlike Kolin and Norwood soils, there was no hysteretic behavior of TNT adsorption-desorption by the bentonite/sand mixture and a mass balance suggested fully reversible retention mechanisms. 15 refs., 13 figs., 2 tabs.

  16. Accumulation of hexahydro-1,3,5-trinitro-1,3,5-triazine by the earthworm Eisenia andrei in a sandy loam soil.

    PubMed

    Sarrazin, Manon; Dodard, Sabine G; Savard, Kathleen; Lachance, Bernard; Robidoux, Pierre Y; Kuperman, Roman G; Hawari, Jalal; Ampleman, Guy; Thiboutot, Sonia; Sunahara, Geoffrey I

    2009-10-01

    The heterocyclic polynitramine hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) is a highly energetic compound found as a soil contaminant at some defense installations. Although RDX is not lethal to soil invertebrates at concentrations up to 10,000 mg/kg, it decreases earthworm cocoon formation and juvenile production at environmentally relevant concentrations found at contaminated sites. Very little is known about the uptake of RDX in earthworms and the potential risks for food-chain transfer of RDX in the environment. Toxicokinetic studies were conducted to quantify the bioaccumulation factors (BAFs) using adult earthworms (Eisenia andrei) exposed for up to 14 d to sublethal concentrations of nonlabeled RDX or [14C]RDX in a Sassafras sandy loam soil. High-performance liquid chromatography of acetonitrile extracts of tissue and soil samples indicated that nonlabeled RDX can be accumulated by the earthworm in a concentration- and time-dependent manner. The BAF, expressed as the earthworm tissue to soil concentration ratio, decreased from 6.7 to 0.1 when the nominal soil RDX concentrations were increased from 1 to 10,000 mg/kg. Tissue concentrations were comparable in earthworms exposed to nonlabeled RDX or [14C]RDX. The RDX bioaccumulation also was estimated using the kinetically derived model (BAFK), based on the ratio of the uptake to elimination rate constants. The established BAFK of 3.6 for [14C]RDX uptake was consistent with the results for nonlabeled RDX. Radioactivity also was present in the tissue residues of [14C]RDX-exposed earthworms following acetonitrile extraction, suggesting the formation of nonextractable [14C]RDX metabolites associated with tissue macromolecules. These findings demonstrated a net accumulation of RDX in the earthworm and the potential for food-chain transfer of RDX to higher-trophic-level receptors.

  17. Overestimation of nitrate and nitrite concentrations in water samples due to the presence of nitroglycerin or hexahydro-1,3,5-trinitro-1,3,5-triazine.

    PubMed

    Bordeleau, Geneviève; Martel, Richard; Lévesque, Richard; Ampleman, Guy; Thiboutot, Sonia; Marois, André

    2012-08-24

    A large number of laboratory studies have reported nitrite (NO(2)(-)) and nitrate (NO(3)(-)) to be among the most common degradation products of the high explosives nitroglycerin (NG) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Additionally, several field studies have reported the presence of RDX or NG along with NO(3)(-) in groundwater near production plants. Most studies, however, did not specify whether their NO(2)(-) and NO(3)(-) analyses were performed on samples which also contained RDX or NG. Inconsistent NO(2)(-)/NO(3)(-) results obtained in our laboratory suggested that the presence of RDX or NG in water samples caused an overestimation of NO(2)(-) and NO(3)(-) concentrations when using two of the most common analytical methods, namely ionic chromatography and automated colorimetry. This could have important implications for mass balance calculations and for environmental decisions. This paper focused on quantifying the overestimation of NO(2)(-)/NO(3)(-) due to the presence of RDX and NG, and finding a method for extracting RDX and NG from water samples without affecting NO(2)(-)/NO(3)(-). Results showed that the overestimation can be predicted using regression coefficients; however the margin of error at the 95% confidence level was between 5 and 15%. Alternatively, a cartridge was found which retains both RDX and NG without affecting NO(2)(-)/NO(3)(-). The cartridge can be used for concentrating the RDX or NG in dilute environmental samples, while removing RDX/NG from solution to allow the interference-free analysis of NO(2)(-)/NO(3)(-). Additionally, if recovery of RDX/NG from the cartridges is not desired, the cartridges could be used for the extraction of more than one sample, thus reducing the costs.

  18. Validation of a novel extraction method for studying hexahydro-1,3,5-trinitro-1,3,5 triazine (RDX) biodegradation by ruminal microbiota.

    PubMed

    Giarrizzo, J G; Murty, L; Tanaree, D; Walker, K; Craig, A M

    2013-04-15

    A simple, fast liquid-liquid extraction method was developed for studying hexahydro-1,3,5-trinitro-1,3,5 triazine (RDX) biodegradation using small sample volumes. The method was tested in vitro with anaerobic incubations of RDX with whole rumen fluid (WRF) and a commercial Sporanaerobacter acetigenes strain in methanogenic media for RDX. Additionally, validation experiments were conducted in deionized water in order to show applicability toward various aqueous matrices. Conditions for extraction were as follows: 300 μL of sample were mixed with an equal volume of a 0.34 M ammonium hydroxide solution to reach a basic pH, extracted with a hexane/ethyl acetate 1:1 (v/v) solution (1 mL) and shaken vigorously for 10 s. The resulting organic phase was transferred, then dried under a constant flow of N2 and reconstituted with acetonitrile (300 μL) for HPLC-UV and LC-MS/MS analysis. Percent recovery values were obtained (83-101%) in all matrices for RDX. In WRF (n=3 animals), RDX degradation was observed with almost 100% elimination of RDX after 4 h. The five nitroso and ring cleavage metabolites were observed by mass spectrometry. Liquid cultures of S. acetigenes did not show significant RDX biodegradation activity. RDX extractions from deionized water samples indicated acceptable recoveries with low variability, suggesting suitability of the method for aqueous matrices. Overall, the new method demonstrated acceptable efficiency and reproducibility across three matrices, providing an advantageous alternative for studies where complex matrices and small volume samples are in use.

  19. Toxic effects of oral hexahydro-1,3,5-trinitro-1,3,5-triazine in the western fence lizard (Sceloporus occidentalis).

    PubMed

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

    2009-05-01

    Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) has been widely used as an explosive in munition formulations, resulting in contamination of wildlife habitat on military installations. To estimate health effects for reptilian species, acute, subacute, and subchronic oral toxicity studies were conducted using the Western fence lizard (Sceloporus occidentalis). Estimated oral median lethal doses were 72 (95% confidence interval [CI], 49-106) mg/kg body weight (slope, 3.754) for males and 88 (95% CI, 65-119) mg/kg (slope, 4.525) for females. Toxicity from RDX suggested the neurological system as the critical target tissue. A 14-d subacute study followed with males dosed orally with RDX (corn oil) at 0, 10, 20, 25, 30, 45, and 60 mg/kg/d. Signs of toxicity frequently included a characteristic body posture. A significant dose-survival relationship was seen over the range of doses, with a significant decrease in survival at 20 mg/kg/d. Males in the 60-d subchronic study were dosed at 0, 1, 2.5, 5, 8, and 11 mg/kg/d, and signs of toxicity included lethargy, cachexia, and anorexia. Survival was decreased at 8 and 11 mg/kg/d. Reduced growth rate and food consumption occurred at 5 mg/kg/d. Brain tissue was assayed for RDX when seizures were observed at a residue concentration of at least 18 microg/g. No abnormalities were observed in the hematologic indices, whereas plasma proteins were reduced. Hepatic enlargement and decreased testes mass occurred at 8 and 11 mg/kg/d. Plasma testosterone concentrations, sperm counts, and motility measures were variable for all treatment levels. Based on survival, growth rate, food intake, and testes to brain weight ratios, these data suggest a lowest-observed-adverse effect level of 5 mg/kg/d and a no-observed-adverse effect level of 2.5 mg/kg/d.

  20. Evaluation of Biostimulation and Bioaugmentation To Stimulate Hexahydro-1,3,5-trinitro-1,3,5,-triazine Degradation in an Aerobic Groundwater Aquifer.

    PubMed

    Michalsen, Mandy M; King, Aaron S; Rule, Rebecca A; Fuller, Mark E; Hatzinger, Paul B; Condee, Charles W; Crocker, Fiona H; Indest, Karl J; Jung, Carina M; Istok, Jack D

    2016-07-19

    Hexahydro-1,3,5-trinitro-1,3,5,-triazine (RDX) is a toxic and mobile groundwater contaminant common to military sites. This study compared in situ RDX degradation rates following bioaugmentation with Gordonia sp. strain KTR9 (henceforth KTR9) to rates under biostimulation conditions in an RDX-contaminated aquifer in Umatilla, OR. Bioaugmentation was achieved by injecting site groundwater (6000 L) amended with KTR9 cells (10(8) cells mL(-1)) and low carbon substrate concentrations (<1 mM fructose) into site wells. Biostimulation (no added cells) was performed by injecting groundwater amended with low (<1 mM fructose) or high (>15 mM fructose) carbon substrate concentrations in an effort to stimulate aerobic or anaerobic microbial activity, respectively. Single-well push-pull tests were conducted to measure RDX degradation rates for each treatment. Average rate coefficients were 1.2 day(-1) for bioaugmentation and 0.7 day(-1) for high carbon biostimulation; rate coefficients for low carbon biostimulation were not significantly different from zero (p values ≥0.060). Our results suggest that bioaugmentation with KTR9 is a feasible strategy for in situ biodegradation of RDX and, at this site, is capable of achieving RDX concentration reductions comparable to those obtained by high carbon biostimulation while requiring ~97% less fructose. Bioaugmentation has potential to minimize substrate quantities and associated costs, as well as secondary groundwater quality impacts associated with anaerobic biostimulation processes (e.g., hydrogen sulfide, methane production) during full-scale RDX remediation.