CH-TRU Waste Content Codes (CH-TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2005-03-15

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

CH-TRU Waste Content Codes (CH-TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2007-09-20

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

CH-TRU Waste Content Codes (CH-TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2007-08-15

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

CH-TRU Waste Content Codes (CH TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2004-12-01

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

CH-TRU Waste Content Codes (CH-TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2005-11-20

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

CH-TRU Waste Content Codes (CH-TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2005-12-15

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

CH-TRU Waste Content Codes (CH-TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2005-01-30

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

CH-TRU Waste Content Codes (CH-TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2005-08-15

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

CH-TRU Waste Content Codes (CH-TRUCON)

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2007-06-15

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

Direct C-H Arylation Meets Perovskite Solar Cells: Sn-Free Synthesis Shortcut to High Performance Hole-Transporting Materials.

Science.gov (United States)

Chang, Yu-Chieh; Lee, Kun-Mu; Lai, Chia-Hsin; Liu, Ching-Yuan

2018-03-30

In contrast to the traditional multistep synthesis, we demonstrate herein a two-step synthesis-shortcut to triphenylamine-based hole-transporting materials (HTMs) through sequential direct C-H arylations. These hole-transporting molecules are fabricated in perovskite-based solar cells (PSCs), exhibiting promising efficiencies up to 17.69%, which is comparable to PSCs utilizing the commercially available spiro-OMeTAD as HTM. This is the first report describing the use of step-saving C-H activations/arylations in the facile synthesis of small-molecule HTMs for perovskite solar cells. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Linking rhizospheric CH₄ oxidation and net CH₄ emissions in an arctic wetland based on ¹³CH₄ labeling of mesocosms

DEFF Research Database (Denmark)

Nielsen, Cecilie Skov; Michelsen, Anders; Ambus, Per

2017-01-01

Aims: Poorly drained arctic ecosystems are potential large emitters of methane (CH4) due to their high soil organic carbon content and low oxygen availability. In wetlands, aerenchymatous plants transport CH4 from the soil to the atmosphere, but concurrently transport O2 to the rhizosphere, which...... may lead to oxidation of CH4. The importance of the latter process is largely unknown for arctic plant species and ecosystems. Here, we aim to quantify the subsurface oxidation of CH4 in a waterlogged arctic ecosystem dominated by Carex aquatilis ssp. stans and Eriophorum angustifolium, and evaluate...... during three weeks after addition of 13C-enriched CH4 below the mesocosm. Results: Most of the recovered 13C label (>98 %) escaped the ecosystem as CH4, while less than 2 % was oxidized to 13CO2. Conclusions: It is concluded that aerenchymatous plants control the overall CH4 emissions but, as a transport...

Transport Mechanisms for CO2-CH4 Exchange and Safe CO2 Storage in Hydrate-Bearing Sandstone

Directory of Open Access Journals (Sweden)

Knut Arne Birkedal

2015-05-01

Full Text Available CO2 injection in hydrate-bearing sediments induces methane (CH4 production while benefitting from CO2 storage, as demonstrated in both core and field scale studies. CH4 hydrates have been formed repeatedly in partially water saturated Bentheim sandstones. Magnetic Resonance Imaging (MRI and CH4 consumption from pump logs have been used to verify final CH4 hydrate saturation. Gas Chromatography (GC in combination with a Mass Flow Meter was used to quantify CH4 recovery during CO2 injection. The overall aim has been to study the impact of CO2 in fractured and non-fractured samples to determine the performance of CO2-induced CH4 hydrate production. Previous efforts focused on diffusion-driven exchange from a fracture volume. This approach was limited by gas dilution, where free and produced CH4 reduced the CO2 concentration and subsequent driving force for both diffusion and exchange. This limitation was targeted by performing experiments where CO2 was injected continuously into the spacer volume to maintain a high driving force. To evaluate the effect of diffusion length multi-fractured core samples were used, which demonstrated that length was not the dominating effect on core scale. An additional set of experiments is presented on non-fractured samples, where diffusion-limited transportation was assisted by continuous CO2 injection and CH4 displacement. Loss of permeability was addressed through binary gas (N2/CO2 injection, which regained injectivity and sustained CO2-CH4 exchange.

Trial of validation of two devices for self-measurement of blood pressure according to the European Society of Hypertension International Protocol: the Citizen CH-432B and the Citizen CH-656C.

Science.gov (United States)

Cotte, Uwe V; Faltenbacher, Verena H; von Willich, Werner; Bogner, Johannes R

2008-02-01

Two devices for self-measurement of blood pressure, one at the upper arm (Citizen CH-432B) and one at the wrist (Citizen CH-656C), were evaluated according to the International Protocol of the European Society of Hypertension. The International Protocol is divided into two phases: the first phase is performed on 15 selected participants with five participants in three different blood pressure ranges. If the devices passed this phase, 18 additional participants selected on the basis of the same criteria as in phase 1 were included. Two skilled observers performed the following blood pressure measurements: five measurements were performed with the mercury standard alternating with four measurements with each of the test devices per participant. The first measurement result from each device instrument was not included in the analysis. The difference between the blood pressure value given by the devices and that obtained by the two observers (mean of the two observers) was calculated for each pair of measurements and classified into three categories (within 5, 10 and 15 mmHg). The results were compared to the pass criteria established by the European Society of Hypertension. Afterwards the number of measurement differences falling within 5 mmHg was determined for every person. At least 22 of the 33 participants should have two of their three comparisons within 5 mmHg and there should be a maximum of three participants without a measurement difference within the 5 mmHg range. Both tested devices passed the first phase of the validation process by exceeding the required number of comparisons falling within the 5, 10 and 15 mmHg error zones. Even the second phase confirmed the validation criteria with average differences between the device and the mercury sphygmomanometer of 0.7+/-4.4 and -3.6+/-4.0 mmHg for systolic blood pressure and diastolic blood pressure, respectively, for the Citizen CH-432B device and -0.7+/-6.0 and -1.2+/-4.5 mmHg for the Citizen CH-656C device

CH-TRU Waste Content Codes

Energy Technology Data Exchange (ETDEWEB)

Washington TRU Solutions LLC

2008-01-16

The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

Influence of atmospheric stability and transport on CH{sub 4} concentrations in northern Spain

Energy Technology Data Exchange (ETDEWEB)

García, M. Ángeles, E-mail: magperez@fa1.uva.es; Sánchez, M. Luisa; Pérez, Isidro A.; Ozores, Marta I.; Pardo, Nuria

2016-04-15

Continuous methane (CH{sub 4}) concentrations were measured in Northern Spain over two years (2011–2012) by multi-point sampling at 1.8, 3.7 and 8.3 m using a Picarro analyser. The technique is based on cavity ring-down spectroscopy. The contrast in mean concentrations was about 1.2 ppb, with 95th percentiles differing by 2.2 ppb and mean minimum concentrations proving similar. Temporal variations of CH{sub 4} were also analysed, with a similar seasonal variability being found for the three heights. The highest CH{sub 4} concentrations were obtained in late autumn and winter and the lowest in summer, yielding a range of 52 ppb. This variation may depend on the active photochemical reaction with OH radical during a period of intense solar radiation and changes in soil conditions together with variations in emissions. Peak concentration levels were recorded at night-time, between 5:00–7:00 GMT, with mean values ranging between 1920 and 1923 ppb. The lowest value, around 1884 ppb, was obtained at 16:00 GMT. This diurnal variation was mainly related to vertical mixing and photochemistry. Therefore, CH{sub 4} concentrations were also examined using the bulk Richardson number (R{sub B}) as a stability indicator. Four groups were distinguished: unstable cases, situations with pure shear flow, transitional stages and drainage flows. The highest contrast in mean CH{sub 4} concentrations between lower and upper heights was obtained for the transition and drainage cases, mainly associated to high concentrations from nearby sources. The impact of long range transport was analysed by means of 3-day isobaric backward air mass trajectories, which were calculated taking into account origins from Europe, Africa, the Atlantic Ocean and Local conditions. Assessment of the results showed the influence of S and SE wind sectors, especially with Local conditions associated with low winds. Finally, an estimation of the background CH{sub 4} concentration in the study period provided an

Formation of core transport barrier and CH-Mode by ion Bernstein wave heating in PBX-M

International Nuclear Information System (INIS)

Ono, M.; Bell, R.; Bernabei, S.; Gettelfinger, G.; Hatcher, R.; Kaita, R.; Kaye, S.; Kugel, H.; LeBlanc, B.; Manickam, J.

1995-01-01

Observation of core transport barrier formation (for particles, ion and electron energies, and toroidal momentum) by ion Bernstein wave heating (IBWH) in PBX-M plasma is reported. The formation of a transport barrier leads to a strong peaking and significant increase of the core pressure (70%) and toroidal momentum (20%), and has been termed the core-high confinement mode (CH-Mode). This formation of a transport barrier is consistent, in terms of the expected barrier location as well as the required threshold power, with a theoretical model based on the poloidal sheared flow generation by the ion Bernstein wave power. The use of ion Bernstein wave (IBW) induced sheared flow as a tool to control plasma pressure and bootstrap current profiles shows a favorable scaling for the use in future reactor grade tokamak plasmas

Transport processes in plasmas

International Nuclear Information System (INIS)

Balescu, R.

1988-01-01

This part is devoted to the classical transport theory in plasmas. Ch. 1 is a chapter of 'pure' hamiltonian mechanics and starts with the study of the motion of an individual charged particle in the presence of an electromagnetic field. Ch. 2 introduces the tools of statistical mechanics for the study of large collections of charged particles. A kinetic theory is derived as a basic tool for transport theory. In ch. 3 the hydro-dynamic - or plasmadynamic - balance equations are derived. The macroscopic dynamical equations have the structure of an infinite hierarchy. This introduces the necessity of construction of a transport theory, by which te infinite set of equations can be reduced to a finite, closed set. This can only be done by a detailed analysis of the kinetic equation under well defined conditions. The tools for such nan analysis are developed in ch. 4. In ch. 5 the transport equations, relating the unknown fluxes of matter, momentum, energy and electricity to the hydrodynamic variables, are derived and discussed. In ch. 6 the results are incorporated into the wider framework of non-equilibrium thermodynamics by connecting the transport processes to the central concept of entropy production. In ch. 7 the results of transport theory are put back into the equations of plasmadynamics

Efficient detection of total cholesterol using (ChEt–ChOx/ZnO/Pt/Si) bioelectrode based on ZnO matrix

International Nuclear Information System (INIS)

Batra, Neha; Sharma, Anjali; Tomar, Monika; Gupta, Vinay

2014-01-01

Present study highlights the importance of ZnO matrix prepared by vapour phase transport technique on platinum coated Si platform (ZnO/Pt/Si) as a potential matrix for the realization of highly sensitive and selective bioelectrode for detection of total cholesterol. Bienzymes cholesterol esterase (ChEt) and cholesterol oxidase (ChOx) have been immobilized onto the surface of ZnO thin film matrix by physical adsorption technique. The prepared bioelectrode (ChEt–ChOx/ZnO/Pt/Si) is utilized for detection of total cholesterol using the cyclic voltammetry technique. The bioelectrode (ChEt–ChOx/ZnO/Pt/Si) is found to exhibit efficient sensing response characteristics with high sensitivity of 190 μA mM −1 cm −2 ; good linearity in the range of 0.5–12 mM total cholesterol concentration, and a very low Michaelis–Menten constant of 0.68 mM which indicates high affinity of bienzymes immobilized on ZnO towards the analyte (total cholesterol). The enhanced response is attributed to the development of ZnO thin film based matrix having good electron transport property and nanoporous morphology for effective loading of enzymes with favourable orientation. - Highlights: • Fabrication of a ZnO nanostructured thin film based efficient matrix • Utilizing prepared matrix for detection of total cholesterol (free + esterified) • Cholesterol oxidase and cholesterol esterase are the corresponding selective enzymes. • Vapour phase transport technique, for the fabrication of nanostructured ZnO matrix • The bioelectrode exhibits enhanced response characteristics towards total cholesterol detection

Efficient detection of total cholesterol using (ChEt–ChOx/ZnO/Pt/Si) bioelectrode based on ZnO matrix

Energy Technology Data Exchange (ETDEWEB)

Batra, Neha; Sharma, Anjali [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Tomar, Monika [Department of Physics, Miranda House, University of Delhi, Delhi 110007 (India); Gupta, Vinay, E-mail: drguptavinay@gmail.com [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

2014-07-01

Present study highlights the importance of ZnO matrix prepared by vapour phase transport technique on platinum coated Si platform (ZnO/Pt/Si) as a potential matrix for the realization of highly sensitive and selective bioelectrode for detection of total cholesterol. Bienzymes cholesterol esterase (ChEt) and cholesterol oxidase (ChOx) have been immobilized onto the surface of ZnO thin film matrix by physical adsorption technique. The prepared bioelectrode (ChEt–ChOx/ZnO/Pt/Si) is utilized for detection of total cholesterol using the cyclic voltammetry technique. The bioelectrode (ChEt–ChOx/ZnO/Pt/Si) is found to exhibit efficient sensing response characteristics with high sensitivity of 190 μA mM{sup −1} cm{sup −2}; good linearity in the range of 0.5–12 mM total cholesterol concentration, and a very low Michaelis–Menten constant of 0.68 mM which indicates high affinity of bienzymes immobilized on ZnO towards the analyte (total cholesterol). The enhanced response is attributed to the development of ZnO thin film based matrix having good electron transport property and nanoporous morphology for effective loading of enzymes with favourable orientation. - Highlights: • Fabrication of a ZnO nanostructured thin film based efficient matrix • Utilizing prepared matrix for detection of total cholesterol (free + esterified) • Cholesterol oxidase and cholesterol esterase are the corresponding selective enzymes. • Vapour phase transport technique, for the fabrication of nanostructured ZnO matrix • The bioelectrode exhibits enhanced response characteristics towards total cholesterol detection.

Transport processes in plasmas

International Nuclear Information System (INIS)

Balescu, R.

1988-01-01

This part is devoted to the neoclassical transport theory. Ch. 8 deals with toroidal magnetic confinement. Ch. 9 studies the motion of an individual particle in a toroidal field. Ch.'s 10 and 11 are devoted to the study of the kinetic equation appropriate to the situation that prevails in the neoclassical theory. Ch. 12 is devoted to the general study of the macroscopic moment equations in toroidal geometry. In ch. 13 the first new transport equations are derived. They include the strange Pfirsch-Schlueter effect. In ch. 14 the method of solution of the kinetic equation in the long free path regime is developed. In ch. 15 the typical long mean free path neoclassical transport equations are obtained and discussed; their very pecular differences with the classicial ones are emphasized. Ch. 16 introduces a mean free path regime as well as a method of interpolation of the results over the whole range of collisionalities. Ch. 17 provides the connection of the transport theory with non-equilibrium thermodynamics in a regime (long mean free path) where the applicability of the latter seems, at first sight, questionable. Nevertheless a complete and consistent thermodynamic theory can be set up, even in this regime. Finally, ch. 18 goes back to the hydrodynamical equations and treats the problem of their closure (in toroidal geometry)

Electrical Resistance of Ag-TS-S(CH2)(n-1)CH3//Ga2O3/EGaln Tunneling Junctions

NARCIS (Netherlands)

Cademartiri, Ludovico; Thuo, Martin M.; Nijhuis, Christian A.; Reus, William F.; Tricard, Simon; Barber, Jabulani R.; Sodhi, Rana N. S.; Brodersen, Peter; Kim, Choongik; Chiechi, Ryan C.; Whitesides, George M.

2012-01-01

Tunneling junctions having the structure Ag-TS-S(CH2)(n-1)CH3//Ga2O3/EGaIn allow physical-organic studies of charge transport across self-assembled monolayers (SAMs). In ambient conditions, the surface of the liquid metal electrode (EGaIn, 75.5 wt % Ga, 24.5 wt % In, mp 15.7 degrees C) oxidizes and

Electronic transport in organometallic perovskite CH{sub 3}NH{sub 3}PbI{sub 3}: The role of organic cation orientations

Energy Technology Data Exchange (ETDEWEB)

Berdiyorov, G. R., E-mail: gberdiyorov@qf.org.qa; El-Mellouhi, F.; Madjet, M. E.; Rashkeev, S. N. [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, Doha (Qatar); Alharbi, F. H. [Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, Doha (Qatar); College of Science and Engineering, Hamad Bin Khalifa University, Doha (Qatar)

2016-02-01

Density functional theory in combination with the nonequilibrium Green's function formalism is used to study the electronic transport properties of methylammonium lead-iodide perovskite CH{sub 3}NH{sub 3}PbI{sub 3}. Electronic transport in homogeneous ferroelectric and antiferroelectric phases, both of which do not contain any charged domain walls, is quite similar. The presence of charged domain wall drastically (by about an order of magnitude) enhances the electronic transport in the lateral direction. The increase of the transmission originates from the smaller variation of the electrostatic potential profile along the charged domain walls. This fact may provide a tool for tuning transport properties of such hybrid materials by manipulating molecular cations having dipole moment.

Mesoscopic CH 3 NH 3 PbI 3 /TiO 2 Heterojunction Solar Cells

KAUST Repository

Etgar, Lioz

2012-10-24

We report for the first time on a hole conductor-free mesoscopic methylammonium lead iodide (CH 3NH 3PbI 3) perovskite/TiO 2 heterojunction solar cell, produced by deposition of perovskite nanoparticles from a solution of CH 3NH 3I and PbI 2 in γ-butyrolactone on a 400 nm thick film of TiO 2 (anatase) nanosheets exposing (001) facets. A gold film was evaporated on top of the CH 3NH 3PbI 3 as a back contact. Importantly, the CH 3NH 3PbI 3 nanoparticles assume here simultaneously the roles of both light harvester and hole conductor, rendering superfluous the use of an additional hole transporting material. The simple mesoscopic CH 3NH 3PbI 3/TiO 2 heterojunction solar cell shows impressive photovoltaic performance, with short-circuit photocurrent J sc= 16.1 mA/cm 2, open-circuit photovoltage V oc = 0.631 V, and a fill factor FF = 0.57, corresponding to a light to electric power conversion efficiency (PCE) of 5.5% under standard AM 1.5 solar light of 1000 W/m 2 intensity. At a lower light intensity of 100W/m 2, a PCE of 7.3% was measured. The advent of such simple solution-processed mesoscopic heterojunction solar cells paves the way to realize low-cost, high-efficiency solar cells. © 2012 American Chemical Society.

Transport, space and society in Copenhagen and Bogotá, 1940-2010

DEFF Research Database (Denmark)

Pineda, Andres Felipe Valderrama

This paper explores the way urban space, transportation networks and urban societies co-evolve and shape each other in time and how this process impacts the development of specific infrastructure projects in cities. To illustrate and analyse these processes, I examine the space design and transport...... as both the Metro and Transmilenio were promoted as high end means to move commuters out of their cars and into the public transport system. Based on the work of Ulrik Jørgensen, I propose that a city can be considered as an arena of development where different actor-networks interact and thus shape...... and are shaped by social processes such as the space development of the city, the enactment of certain discourse of self representation (cities as regional poles of development for instance) and the daily routines of city dwellers and their living choices, among others. This type of sociological analysis...

The cost of pipelining climate change mitigation. An overview of the economics of CH4, CO2 and H2 transportation

Energy Technology Data Exchange (ETDEWEB)

Van der Zwaan, B.C.C.; Schoots, K.; Rivera-Tinoco, R. [Energy research Center of the Netherlands (ECN), Policy Studies Department, Amsterdam (Netherlands); Verbong, G.P.J. [Eindhoven University of Technology, Department of Industrial Engineering and Innovation Sciences, Eindhoven (Netherlands)

2011-11-15

Gases like CH4, CO2 and H2 may play a key role in establishing a sustainable energy system: CH4 is the least carbon-intensive fossil energy resource; CO2 capture and storage can significantly reduce the climate footprint of especially fossil-based electricity generation; and the use of H2 as energy carrier could enable carbon-free automotive transportation. Yet the construction of large pipeline infrastructures usually constitutes a major and time-consuming undertaking, because of safety and environmental issues, legal and (geo)political siting arguments, technically untrivial installation processes, and/or high investment cost requirements. In this article we focus on the latter and present an overview of both the total costs and cost components of the distribution of these three gases via pipelines. Possible intricacies and external factors that strongly influence these costs, like the choice of location and terrain, are also included in our analysis. Our distribution cost breakdown estimates are based on transportation data for CH4, which we adjust for CO2 and H2 in order to account for the specific additional characteristics of these two gases. The overall trend is that pipeline construction is no longer subject to significant cost reductions. For the purpose of designing energy and climate policy we therefore know in principle with reasonable certainty what the minimum distribution cost components of future energy systems are that rely on pipelining these gases. We describe the reasons why we observe limited learning-by-doing and explain why negligible construction cost reductions for future CH4, CO2 and H2 pipeline projects can be expected. Cost data of individual pipeline projects may strongly deviate from the global average because of national or regional effects related to the type of terrain, but also to varying costs of labor and fluctuating market prices of components like steel.

The cost of pipelining climate change mitigation: An overview of the economics of CH4, CO2 and H2 transportation

International Nuclear Information System (INIS)

Zwaan, B.C.C. van der; Schoots, K.; Rivera-Tinoco, R.; Verbong, G.P.J.

2011-01-01

Highlights: → Learning for pipeline construction, if available, is outshadowed by cost variability. → Pipelining is a mature technology, for which much experience has been gained. → Pipeline projects are heterogeneous with widely varying technical and cost specifics. → Pipeline cost components tend to reflect (commodity) market price developments. → Pipeline costs are strongly determined by the properties of the transported gas. -- Abstract: Gases like CH 4 , CO 2 and H 2 may play a key role in establishing a sustainable energy system: CH 4 is the least carbon-intensive fossil energy resource; CO 2 capture and storage can significantly reduce the climate footprint of especially fossil-based electricity generation; and the use of H 2 as energy carrier could enable carbon-free automotive transportation. Yet the construction of large pipeline infrastructures usually constitutes a major and time-consuming undertaking, because of safety and environmental issues, legal and (geo)political siting arguments, technically un-trivial installation processes, and/or high investment cost requirements. In this article we focus on the latter and present an overview of both the total costs and cost components of the distribution of these three gases via pipelines. Possible intricacies and external factors that strongly influence these costs, like the choice of location and terrain, are also included in our analysis. Our distribution cost breakdown estimates are based on transportation data for CH 4 , which we adjust for CO 2 and H 2 in order to account for the specific additional characteristics of these two gases. The overall trend is that pipeline construction is no longer subject to significant cost reductions. For the purpose of designing energy and climate policy we therefore know in principle with reasonable certainty what the minimum distribution cost components of future energy systems are that rely on pipelining these gases. We describe the reasons why we observe

Defense waste transportation: cost and logistics studies

International Nuclear Information System (INIS)

Andrews, W.B.; Cole, B.M.; Engel, R.L.; Oylear, J.M.

1982-08-01

Transportation of nuclear wastes from defense programs is expected to significantly increase in the 1980s and 1990s as permanent waste disposal facilities come into operation. This report uses models of the defense waste transportation system to quantify potential transportation requirements for treated and untreated contact-handled transuranic (CH-TRU) wastes and high-level defense wastes (HLDW). Alternative waste management strategies in repository siting, waste retrieval and treatment, treatment facility siting, waste packaging and transportation system configurations were examined to determine their effect on transportation cost and hardware requirements. All cost estimates used 1980 costs. No adjustments were made for future changes in these costs relative to inflation. All costs are reported in 1980 dollars. If a single repository is used for defense wastes, transportation costs for CH-TRU waste currently in surface storage and similar wastes expected to be generated by the year 2000 were estimated to be 109 million dollars. Recovery and transport of the larger buried volumes of CH-TRU waste will increase CH-TRU waste transportation costs by a factor of 70. Emphasis of truck transportation and siting of multiple repositories would reduce CH-TRU transportation costs. Transportation of HLDW to repositories for 25 years beginning in 1997 is estimated to cost $229 M in 1980 costs and dollars. HLDW transportation costs could either increase or decrease with the selection of a final canister configuration. HLDW transportation costs are reduced when multiple repositories exist and emphasis is placed on truck transport

Using a Reactive Transport Simulator to Simulate CH4 Production from Bear Island Basin in the Barents Sea Utilizing the Depressurization Method†

Directory of Open Access Journals (Sweden)

Khadijeh Qorbani

2017-02-01

Full Text Available The enormous amount of methane stored in natural gas hydrates (NGHsworldwide offers a significant potential source of energy. NGHs will be generally unable to reach thermodynamic equilibrium at their in situ reservoir conditions due to the number of active phases involved. Lack of reliable field data makes it difficult to predict the production potential and safety of CH4 production from NGHs. While the computer simulations will never be able to replace field data, one can apply state-of-the-artmodellingtechniquestoevaluateseveralpossiblelong-termscenarios. Realistic kinetic models for hydrate dissociation and reformation will be required, as well as analysis of all phase transition routes. This work utilizes our in-house extension of RetrasoCodeBright (RCB, a reactive transport simulator, to perform a gas hydrate production case study of the Bjørnøya (Bear Island basin, a promising field with very limited geological data reported by available field studies. The use of a reactive transport simulator allowed us to implement non-equilibrium thermodynamics for analysisofCH4 production from the gas hydrates by treating each phase transition involving hydrates as a pseudo reaction. Our results showed a rapid propagation of the pressure drop through the reservoir following the imposition of pressure drawdown at the well. Consequently, gas hydrate dissociation and CH4 production began in the early stages of the five-year simulation period.

The Conference Proceedings of the 2003 Air Transport Research Society (ATRS) World Conference, Volume 3

Science.gov (United States)

Bowen, Brent (Editor); Gudmundsson, Sveinn (Editor); Oum, Tae (Editor)

2003-01-01

Volume 3 of the 2003 Air Transport Reserch Society (ATRS) World Conference includes papers on topics relevant to airline operations worldwide. Specific topics include: European Union and civil aviation regimens;simulating decision making in airline operations, passenger points of view on convenient airports; route monopolies and nonlinear pricing; cooperation among airports in Europe; fleet modernizaiton in Brazil;the effects of deregulation on the growth of air transportation in Europe and the United States.

Nanostructured TiO2/CH3NH3PbI3 heterojunction solar cells employing spiro-OMeTAD/Co-complex as hole-transporting material

KAUST Repository

Noh, Jun Hong

2013-01-01

For using 2,2′,7,7′-tetrakis(N,N′-di-p- methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD) as a hole conductor in solar cells, it is necessary to improve its charge-transport properties through electrochemical doping. With the aim of fabricating efficient mesoscopic TiO2/CH3NH3PbI3 heterojunction solar cells, we used tris[2-(1H-pyrazol-1-yl)-4-tert- butylpyridine)cobalt(iii) tris(bis(trifluoromethylsulfonyl) imide)] (FK209) as a p-dopant for spiro-OMeTAD. The mixture of spiro-OMeTAD, FK209, lithium bis(trifluoromethylsulfonyl)imide (Li-TFSI), and 4-tert-butylpyridine (TBP) exhibited significantly higher performance than mixtures of pristine spiro-OMeTAD, spiro-OMeTAD, and FK209, and spiro-OMeTAD, Li-TFSI, and TBP. Such a synergistic effect between the Co-complex and Li-TFSI in conjunction with spiro-OMeTAD effectively improved the power conversion efficiency (PCE) of the fabricated solar cells. As a result, we achieved PCE of 10.4%, measured under standard solar conditions (AM 1.5G, 100 mW cm-2). © 2013 The Royal Society of Chemistry.

Uncertainties in modelling CH4 emissions from northern wetlands in glacial climates: effect of hydrological model and CH4 model structure

Directory of Open Access Journals (Sweden)

J. van Huissteden

2009-07-01

Full Text Available Methane (CH4 fluxes from northern wetlands may have influenced atmospheric CH4 concentrations at climate warming phases during the last 800 000 years and during the present global warming. Including these CH4 fluxes in earth system models is essential to understand feedbacks between climate and atmospheric composition. Attempts to model CH4 fluxes from wetlands have previously been undertaken using various approaches. Here, we test a process-based wetland CH4 flux model (PEATLAND-VU which includes details of soil-atmosphere CH4 transport. The model has been used to simulate CH4 emissions from continental Europe in previous glacial climates and the current climate. This paper presents results regarding the sensitivity of modeling glacial terrestrial CH4 fluxes to (a basic tuning parameters of the model, (b different approaches in modeling of the water table, and (c model structure. In order to test the model structure, PEATLAND-VU was compared to a simpler modeling approach based on wetland primary production estimated from a vegetation model (BIOME 3.5. The tuning parameters are the CH4 production rate from labile organic carbon and its temperature sensitivity. The modelled fluxes prove comparatively insensitive to hydrology representation, while sensitive to microbial parameters and model structure. Glacial climate emissions are also highly sensitive to assumptions about the extent of ice cover and exposed seafloor. Wetland expansion over low relief exposed seafloor areas have compensated for a decrease of wetland area due to continental ice cover.

Stanovení vybraných vonných látek v kosmetických prostředcích

OpenAIRE

Novotná, Petra

2011-01-01

Tato diplomová práce se zabývá stanovením vybraných vonných látek v kosmetických prostředcích. Úvodem je popsán výskyt, metody získávání a využití těchto látek. Jsou nepostradatelnou součástí především kosmetických výrobků, avšak u citlivých jedinců mohou vyvolat alergickou reakci. O příčinách vzniku a průběhu těchto nežádoucích projevů je v teoretické části také pojednáno. Je známo několik stovek až tisíc vonných látek používaných v parfumérském průmyslu, z nichž je 26 ustanoveno evropskými ...

Rate Constant for the Reaction CH3 + CH3 Yields C2H6 at T = 155 K and Model Calculation of the CH3 Abundance in the Atmospheres of Saturn and Neptune

Science.gov (United States)

Cody, Regina J.; Romani, Paul N.; Nesbitt, Fred L.; Iannone, Mark A.; Tardy, Dwight C.; Stief, Louis J.

2003-01-01

The column abundances of CH3 observed by the Infrared Space Observatory (ISO) satellite on Saturn and Neptune were lower than predicted by atmospheric photochemical models, especially for Saturn. It has been suggested that the models underestimated the loss of CH3 due to poor knowledge of the rate constant k of the CH3 + CH3 self-reaction at the low temperatures and pressures of these atmospheres. Motivated by this suggestion, we undertook a combined experimental and photochemical modeling study of the CH3 + CH3 reaction and its role in determining planetary CH3 abundances. In a discharge flow-mass spectrometer system, k was measured at T = 155 K and three pressures of He. The results in units of cu cm/molecule/s are k(0.6 Torr) = 6.82 x 10(exp -11), k(1.0 Torr) = 6.98 x 10(exp -11), and k(1.5 Torr) = 6.91 x 10(exp -11). Analytical expressions for k were derived that (1) are consistent with the present laboratory data at T = 155 K, our previous data at T = 202 K and 298 K, and those of other studies in He at T = 296-298 K and (2) have some theoretical basis to provide justification for extrapolation. The derived analytical expressions were then used in atmospheric photochemical models for both Saturn and Neptune. These model results reduced the disparity with observations of Saturn, but not with observations of Neptune. However, the disparity for Neptune is much smaller. The solution to the remaining excess CH3 prediction in the models relative to the ISO observations lies, to a large extent, elsewhere in the CH3 photochemistry or transport, not in the CH3 + CH3 rate.

Energy distribution of the fast electron from Cu and CH targets irradiated with fs-laser pulses

International Nuclear Information System (INIS)

Cai Dafeng; Gu Yuqiu; Zheng Zhijian; Zhou Weimin; Jiao Chunye

2014-01-01

In order to investigate the effect of target's material on fast electron energy distribution, the energy distribution of fast electrons from the front and the rear of Cu and CH targets have been measured during the interaction of femtosecond laser-foil targets. The results show that the fast electron spectrums from the front of Cu and CH targets are similar, which show energy distribution of fast electrons depends very little on material of targets. The fast electron spectrums from the rear of Cu and CH targets are obviously dissimilar, which indicate a mighty effect of target material on fast electron transport. The fast electron spectrums from the Cu target is 'soften', which is due to electron recirculation and self-magnetic field produced by electrons transported in the target. The fast electron spectrums from the CH target is a Maxwellian distribution, which is due to collision effect when electrons transport in the target. (authors)

Atmospheric Chemistry of CH3CH2OCH3

DEFF Research Database (Denmark)

Andersen, Mads Peter Sulbæk; Bjørn Svendsen, Sissel; Østerstrøm, Freja From

2017-01-01

The atmospheric chemistry of methyl ethyl ether, CH3CH2OCH3, was examined using FT-IR/relative-rate methods. Hydroxyl radical and chlorine atom rate coefficients of k(CH3CH2OCH3+OH) = (7.53 ± 2.86) × 10−12 cm3 molecule−1 s−1 and k(CH3CH2OCH3+Cl) = (2.35 ± 0.43) × 10−10 cm3 molecule−1 s−1 were...

Synthesis of propargylic and allenic carbamates via the C-H amination of alkynes.

Science.gov (United States)

Grigg, R David; Rigoli, Jared W; Pearce, Simon D; Schomaker, Jennifer M

2012-01-06

Propargylic amines are important intermediates for the synthesis of nitrogen-containing heterocycles. The insertion of a nitrene into a propargylic C-H bond has not been explored, despite the attention directed toward the Rh-catalyzed amination of other types of C-H bonds. In this communication, the conversion of a series of homopropargylic carbamates to propargylic carbamates and aminated allenes is described. © 2011 American Chemical Society

The Conference Proceedings of the 1997 Air Transport Research Group (ATRG) of the WCTR Society. Volume 1

Science.gov (United States)

Oum, Tae Hoon (Editor); Bowen, Brent D. (Editor)

1997-01-01

The UNO Aviation Institute has published the 1997 Proceedings of the Air Transport Research Group of the World Conference on Transportation Research (WCTR) Society. Items published in this three volume, seven monograph series were presented at the triennial ATRG Conference held at the University of British Columbia, June 25-27, 1997. A wide variety of policy issues are discussed including the following: open- skies agreements, liberalization, globalization, airline competition, airport performance, pricing, hubs, and safety, among others.

Public lecture | "Science and society" by Bob Jones | 22 May

CERN Multimedia

2014-01-01

Public lecture: "Science and society: the impact of computing at CERN on society" by Bob Jones 22 May at 7.30 p.m. Globe of Science and Innovation Lecture in English, translated in French. Entrance free. Limited number of seats. Reservation essential: +41 22 767 76 76 or cern.reception@cern.ch

Assessing fugitive emissions of CH4 from high-pressure gas pipelines

Science.gov (United States)

Worrall, Fred; Boothroyd, Ian; Davies, Richard

2017-04-01

The impact of unconventional natural gas production using hydraulic fracturing methods from shale gas basins has been assessed using life-cycle emissions inventories, covering areas such as pre-production, production and transmission processes. The transmission of natural gas from well pad to processing plants and its transport to domestic sites is an important source of fugitive CH4, yet emissions factors and fluxes from transmission processes are often based upon ver out of date measurements. It is important to determine accurate measurements of natural gas losses when compressed and transported between production and processing facilities so as to accurately determine life-cycle CH4 emissions. This study considers CH4 emissions from the UK National Transmission System (NTS) of high pressure natural gas pipelines. Mobile surveys of CH4 emissions using a Picarro Surveyor cavity-ring-down spectrometer were conducted across four areas in the UK, with routes bisecting high pressure pipelines and separate control routes away from the pipelines. A manual survey of soil gas measurements was also conducted along one of the high pressure pipelines using a tunable diode laser. When wind adjusted 92 km of high pressure pipeline and 72 km of control route were drive over a 10 day period. When wind and distance adjusted CH4 fluxes were significantly greater on routes with a pipeline than those without. The smallest leak detectable was 3% above ambient (1.03 relative concentration) with any leaks below 3% above ambient assumed ambient. The number of leaks detected along the pipelines correlate to the estimated length of pipe joints, inferring that there are constant fugitive CH4 emissions from these joints. When scaled up to the UK's National Transmission System pipeline length of 7600 km gives a fugitive CH4 flux of 4700 ± 2864 kt CH4/yr - this fugitive emission from high pressure pipelines is 0.016% of the annual gas supply.

Dissociative Recombination and Excitation of CH+5 : Absolute Cross Sections and Branching Fractions

International Nuclear Information System (INIS)

Semaniak, J.; Larson, A.; Le Padellec, A.; Stroemholm, C.; Larsson, M.; Rosen, S.; Peverall, R.; Danared, H.; Djuric, N.; Dunn, G.H.; Datz, S.

1998-01-01

The heavy-ion storage ring CRYRING was used to measure the absolute dissociative recombination and dissociative excitation cross sections for collision energies below 50 eV. Deduced thermal rates coefficients are consistent with previous beams data but are lower by a factor of 3 than the rates measured by means of the flowing afterglow Langmuir probe technique. A resonant structure in dissociative recombination cross section was found at 9 eV. We have determined the branching fractions in DR of CH + 5 below 0.2 eV. The branching is dominated by three-body CH 3 + H + H and CH 2 + H 2 + H dissociation channels, which occur with branching ratios of ∼0.7 and ∼0.2, respectively; thus methane is a minor species among dissociation products. Both the measured absolute cross sections and branching in dissociative recombination of CH + 5 can have important implications for the models of dense interstellar clouds and abundance of CH 2 , CH 3 and CH 4 in these media. copyright copyright 1998. The American Astronomical Society

Comprehensive effects of a sedge plant on CH4 and N2O emissions in an estuarine marsh

Science.gov (United States)

Li, Yangjie; Wang, Dongqi; Chen, Zhenlou; Hu, Hong

2018-05-01

Although there have been numerous studies focusing on plants' roles in methane (CH4) emissions, the influencing mechanism of wetland plants on nitrous oxide (N2O) emissions has rarely been studied. Here, we test whether wetland plants also play an important role in N2O emissions. Gas fluxes were determined using the in situ static flux chamber technique. We also carried out pore-water extractions, sedge removal experiments and tests of N2O transportation. The brackish marsh acted as a net source of both CH4 and N2O. However, sedge plants played the opposite role in CH4 and N2O emissions. The removal of the sedges led to reduced CH4 emissions and increased accumulation of CH4 inside the sediment. Apart from being a conduit for CH4 transport, the sedges made a greater contribution to CH4 oxidation than CH4 production. The sedges exerted inhibitory effects on the release of N2O. The N2O was barely detectable inside the sediment in both vegetated and vegetation-removed plots. The denitrification measurements and nitrogen addition (the addition rates were equal to 0.028, 0.056 and 0.112 g m-2) experiments suggest that denitrification associated with N2O production occurred mainly in the surface sediment layer. The vascular sedge could transport atmospheric N2O downward into the rhizosphere. The rhizospheric sediment, together with the vascular sedge, became an effective sink of atmospheric N2O.

Global Inverse Modeling of CH4 and δ13C-CH4 Measurements to Understand Recent Trends in Methane Emissions

Science.gov (United States)

Karmakar, S.; Butenhoff, C. L.; Rice, A. L.; Khalil, A. K.

2017-12-01

Methane (CH4) is the second most important greenhouse gas with a radiative forcing of 0.97 W/m2 including both direct and indirect effects and a global warming potential of 28 over a 100-year time horizon. After a decades-long period of decline beginning in the 1980s, the methane growth rate rebounded in 2007 for reasons that are of current debate. During this same growth period atmospheric methane became less enriched in the 13CH4 isotope suggesting the recent CH4 growth was caused by an increase in 13CH4-depleted biogenic emissions. Recent papers have attributed this growth to increasing emissions from wetlands, rice agriculture, and ruminants. In this work we provide additional insight into the recent behavior of atmospheric methane and global wetland emissions by performing a three-dimensional Bayesian inversion of surface CH4 and 13CH4/12CH4 ratios using NOAA Global Monitoring Division (GMD) "event-level" CH4 measurements and the GEOS-Chem chemical-transport model (CTM) at a horizontal grid resolution of 2ox2.5o. The spatial pattern of wetland emissions was prescribed using soil moisture and temperature from GEOS-5 meteorology fields and soil carbon pools from the Lund-Potsdam-Jena global vegetation model. In order to reduce the aggregation error caused by a potentially flawed distribution and to account for isotopic measurements that indicate northern high latitude wetlands are isotopically depleted in 13CH4 relative to tropical wetlands we separated our pattern into three latitudinal bands (90-30°N, 30°N-0, 0-90°S). Our preliminary results support previous claims that the recent increase in atmospheric methane is driven by increases in biogenic CH4 emissions. We find that while wetland emissions from northern high latitudes (90-30°N) remained relatively constant during this time, southern hemisphere wetland emissions rebounded from a decade-long decline and began to rise again in 2007 and have remained elevated to the present. Emissions from rice

The reaction of fluorine atoms with methanol: yield of CH3O/CH2OH and rate constant of the reactions CH3O + CH3O and CH3O + HO2.

Science.gov (United States)

Assaf, Emmanuel; Schoemaecker, Coralie; Vereecken, Luc; Fittschen, Christa

2018-04-25

Xenondifluoride, XeF2, has been photolysed in the presence of methanol, CH3OH. Two reaction pathways are possible: F + CH3OH → CH2OH + HF and F + CH3OH → CH3O + HF. Both products, CH2OH and CH3O, will be converted to HO2 in the presence of O2. The rate constants for the reaction of both radicals with O2 differ by more than 3 orders of magnitude, which allows an unequivocal distinction between the two reactions when measuring HO2 concentrations in the presence of different O2 concentrations. The following yields have then been determined from time-resolved HO2 profiles: φCH2OH = (0.497 ± 0.013) and φCH3O = (0.503 ± 0.013). Experiments under low O2 concentrations lead to reaction mixtures containing nearly equal amounts of HO2 (converted from the first reaction) and CH3O (from the second reaction). The subsequent HO2 decays are very sensitive to the rate constants of the reaction between these two radicals and the following rate constants have been obtained: k(CH3O + CH3O) = (7.0 ± 1.4) × 10-11 cm3 s-1 and k(CH3O + HO2) = (1.1 ± 0.2) × 10-10 cm3 s-1. The latter reaction has also been theoretically investigated on the CCSD(T)//M06-2X/aug-cc-pVTZ level of theory and CH3OH + O2 have been identified as the main products. Using μVTST, a virtually pressure independent rate constant of k(CH3O + HO2) = 4.7 × 10-11 cm3 s-1 has been obtained, in good agreement with the experiment.

CO2/CH4 Separation via Polymeric Blend Membrane

Directory of Open Access Journals (Sweden)

H. Sanaeepur

2013-01-01

Full Text Available CO2/CH4 gas separation is a very important applicatable process in upgrading the natural gas and landfil gas recovery. In this work, to investigate the membrane separation process performance, the gas permeation results andCO2/CH4 separation characteristics of different prepared membranes (via blending different molecular weights of polyethylene glycol (PEG as a modifier with acrylonitrile-butadiene-styrene (ABS as a backbone structure have been studied. Furthermore, SEM analysis was carried out for morphological investigations. The effect of PEG content on gas transport properties on the selected sample was also studied. The effect of pressure on CO2 permeation was examined and showed that at the pressure beyond 4 bar, permeability is not affected by pressure. The results showed that more or less in all cases, incorporation of PEG molecules without any significant increase in CH4 permeability increases the CO2/CH4 selectivity. From the view point of gas separation applications the resultant data are within commercial attractive range

libChEBI: an API for accessing the ChEBI database.

Science.gov (United States)

Swainston, Neil; Hastings, Janna; Dekker, Adriano; Muthukrishnan, Venkatesh; May, John; Steinbeck, Christoph; Mendes, Pedro

2016-01-01

ChEBI is a database and ontology of chemical entities of biological interest. It is widely used as a source of identifiers to facilitate unambiguous reference to chemical entities within biological models, databases, ontologies and literature. ChEBI contains a wealth of chemical data, covering over 46,500 distinct chemical entities, and related data such as chemical formula, charge, molecular mass, structure, synonyms and links to external databases. Furthermore, ChEBI is an ontology, and thus provides meaningful links between chemical entities. Unlike many other resources, ChEBI is fully human-curated, providing a reliable, non-redundant collection of chemical entities and related data. While ChEBI is supported by a web service for programmatic access and a number of download files, it does not have an API library to facilitate the use of ChEBI and its data in cheminformatics software. To provide this missing functionality, libChEBI, a comprehensive API library for accessing ChEBI data, is introduced. libChEBI is available in Java, Python and MATLAB versions from http://github.com/libChEBI, and provides full programmatic access to all data held within the ChEBI database through a simple and documented API. libChEBI is reliant upon the (automated) download and regular update of flat files that are held locally. As such, libChEBI can be embedded in both on- and off-line software applications. libChEBI allows better support of ChEBI and its data in the development of new cheminformatics software. Covering three key programming languages, it allows for the entirety of the ChEBI database to be accessed easily and quickly through a simple API. All code is open access and freely available.

Uncertainties in modelling CH4 emissions from northern wetlands in glacial climates: the role of vegetation parameters

Directory of Open Access Journals (Sweden)

J. van Huissteden

2011-10-01

Full Text Available Marine Isotope Stage 3 (MIS 3 interstadials are marked by a sharp increase in the atmospheric methane (CH4 concentration, as recorded in ice cores. Wetlands are assumed to be the major source of this CH4, although several other hypotheses have been advanced. Modelling of CH4 emissions is crucial to quantify CH4 sources for past climates. Vegetation effects are generally highly generalized in modelling past and present-day CH4 fluxes, but should not be neglected. Plants strongly affect the soil-atmosphere exchange of CH4 and the net primary production of the vegetation supplies organic matter as substrate for methanogens. For modelling past CH4 fluxes from northern wetlands, assumptions on vegetation are highly relevant since paleobotanical data indicate large differences in Last Glacial (LG wetland vegetation composition as compared to modern wetland vegetation. Besides more cold-adapted vegetation, Sphagnum mosses appear to be much less dominant during large parts of the LG than at present, which particularly affects CH4 oxidation and transport. To evaluate the effect of vegetation parameters, we used the PEATLAND-VU wetland CO2/CH4 model to simulate emissions from wetlands in continental Europe during LG and modern climates. We tested the effect of parameters influencing oxidation during plant transport (fox, vegetation net primary production (NPP, parameter symbol Pmax, plant transport rate (Vtransp, maximum rooting depth (Zroot and root exudation rate (fex. Our model results show that modelled CH4 fluxes are sensitive to fox and Zroot in particular. The effects of Pmax, Vtransp and fex are of lesser relevance. Interactions with water table modelling are significant for Vtransp. We conducted experiments with different wetland vegetation types for Marine Isotope Stage 3 (MIS 3 stadial and interstadial climates and the present-day climate, by coupling PEATLAND-VU to high resolution climate model simulations for Europe. Experiments assuming

Uncertainties in modelling CH4 emissions from northern wetlands in glacial climates: the role of vegetation parameters

Science.gov (United States)

Berrittella, C.; van Huissteden, J.

2011-10-01

Marine Isotope Stage 3 (MIS 3) interstadials are marked by a sharp increase in the atmospheric methane (CH4) concentration, as recorded in ice cores. Wetlands are assumed to be the major source of this CH4, although several other hypotheses have been advanced. Modelling of CH4 emissions is crucial to quantify CH4 sources for past climates. Vegetation effects are generally highly generalized in modelling past and present-day CH4 fluxes, but should not be neglected. Plants strongly affect the soil-atmosphere exchange of CH4 and the net primary production of the vegetation supplies organic matter as substrate for methanogens. For modelling past CH4 fluxes from northern wetlands, assumptions on vegetation are highly relevant since paleobotanical data indicate large differences in Last Glacial (LG) wetland vegetation composition as compared to modern wetland vegetation. Besides more cold-adapted vegetation, Sphagnum mosses appear to be much less dominant during large parts of the LG than at present, which particularly affects CH4 oxidation and transport. To evaluate the effect of vegetation parameters, we used the PEATLAND-VU wetland CO2/CH4 model to simulate emissions from wetlands in continental Europe during LG and modern climates. We tested the effect of parameters influencing oxidation during plant transport (fox), vegetation net primary production (NPP, parameter symbol Pmax), plant transport rate (Vtransp), maximum rooting depth (Zroot) and root exudation rate (fex). Our model results show that modelled CH4 fluxes are sensitive to fox and Zroot in particular. The effects of Pmax, Vtransp and fex are of lesser relevance. Interactions with water table modelling are significant for Vtransp. We conducted experiments with different wetland vegetation types for Marine Isotope Stage 3 (MIS 3) stadial and interstadial climates and the present-day climate, by coupling PEATLAND-VU to high resolution climate model simulations for Europe. Experiments assuming dominance of

Travel and transport

DEFF Research Database (Denmark)

Bill, Jan; Roesdahl, Else

2007-01-01

On the interrelationship between travel, transport and society; on land transport, sea and river transport, and on winter transport;  on the related technologies and their developments......On the interrelationship between travel, transport and society; on land transport, sea and river transport, and on winter transport;  on the related technologies and their developments...

Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 perovskites for solar cell applications.

Science.gov (United States)

Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

2014-03-26

Hybrid AMX3 perovskites (A = Cs, CH3NH3; M = Sn, Pb; X = halide) have revolutionized the scenario of emerging photovoltaic technologies, with very recent results demonstrating 15% efficient solar cells. The CH3NH3PbI3/MAPb(I(1-x)Cl(x))3 perovskites have dominated the field, while the similar CH3NH3SnI3 has not been exploited for photovoltaic applications. Replacement of Pb by Sn would facilitate the large uptake of perovskite-based photovoltaics. Despite the extremely fast progress, the materials electronic properties which are key to the photovoltaic performance are relatively little understood. Density Functional Theory electronic structure methods have so far delivered an unbalanced description of Pb- and Sn-based perovskites. Here we develop an effective GW method incorporating spin-orbit coupling which allows us to accurately model the electronic, optical and transport properties of CH3NH3SnI3 and CH3NH3PbI3, opening the way to new materials design. The different CH3NH3SnI3 and CH3NH3PbI3 electronic properties are discussed in light of their exploitation for solar cells, and found to be dominantly due to relativistic effects. These effects stabilize the CH3NH3PbI3 material towards oxidation, by inducing a deeper valence band edge. Relativistic effects, however, also increase the material band-gap compared to CH3NH3SnI3, due to the valence band energy downshift (~0.7 eV) being only partly compensated by the conduction band downshift (~0.2 eV).

Science and Society Test for Scientists: Transportation

Science.gov (United States)

Hafemeister, David

1976-01-01

Presents numerous questions concerning transportation systems, energy consumption, noise, air pollution and other transportation oriented topics. Solutions are provided using undergraduate pre-calculus mathematics. (CP)

Impact of artefact removal on ChIP quality metrics in ChIP-seq and ChIP-exo data.

Directory of Open Access Journals (Sweden)

Thomas Samuel Carroll

2014-04-01

Full Text Available With the advent of ChIP-seq multiplexing technologies and the subsequent increase in ChIP-seq throughput, the development of working standards for the quality assessment of ChIP-seq studies has received significant attention. The ENCODE consortium’s large scale analysis of transcription factor binding and epigenetic marks as well as concordant work on ChIP-seq by other laboratories has established a new generation of ChIP-seq quality control measures. The use of these metrics alongside common processing steps has however not been evaluated. In this study, we investigate the effects of blacklisting and removal of duplicated reads on established metrics of ChIP-seq quality and show that the interpretation of these metrics is highly dependent on the ChIP-seq preprocessing steps applied. Further to this we perform the first investigation of the use of these metrics for ChIP-exo data and make recommendations for the adaptation of the NSC statistic to allow for the assessment of ChIP-exo efficiency.

The Drivers of the CH4 Seasonal Cycle in the Arctic and What Long-Term Observations of CH4 Imply About Trends in Arctic CH4 Fluxes

Science.gov (United States)

Sweeney, C.; Karion, A.; Bruhwiler, L.; Miller, J. B.; Wofsy, S. C.; Miller, C. E.; Chang, R. Y.; Dlugokencky, E. J.; Daube, B.; Pittman, J. V.; Dinardo, S. J.

2012-12-01

The large seasonal change in the atmospheric column for CH4 in the Arctic is driven by two dominant processes: transport of CH4 from low latitudes and surface emissions throughout the Arctic region. The NOAA ESRL Carbon Cycle Group Aircraft Program along with the NASA funded Carbon in Arctic Reservoirs Vulnerability Experiment (CARVE) have initiated an effort to better understand the factors controlling the seasonal changes in the mole fraction of CH4 in the Arctic with a multi-scale aircraft observing network in Alaska. The backbone of this network is multi-species flask sampling from 500 to 8000 masl that has been conducted every two weeks for the last 10 years over Poker Flat, AK. In addition regular profiles at the interior Alaska site at Poker Flat, NOAA has teamed up with the United States Coast Guard to make profiling flights with continuous observations of CO2, CO, CH4 and Ozone between Kodiak and Barrow every 2 weeks. More recently, CARVE has significantly added to this observational network with targeted flights focused on exploring the variability of CO2, CH4 and CO in the boundary layer both in the interior and the North Slope regions of Alaska. Taken together with the profiling of HIAPER Pole-to-Pole Observations (HIPPO), ground sites at Barrow and a new CARVE interior Alaska surface site just north of Fairbanks, AK, we now have the ability to investigate the full evolution of the seasonal cycle in the Arctic using both the multi-scale sampling offered by the different aircraft platforms as well as the multi-species sampling offered by in-situ and flask sampling. The flasks also provide a valuable tie-point between different platforms so that spatial and temporal gradients can be properly interpreted. In the context of the seasonal cycle observed by the aircraft platforms we will look at long term ground observations over the last 20 years to assess changes in Arctic CH4 emissions which have occurred as a result of 0.6C/decade changes in mean surface

Atmospheric chemistry of CF3CH2CH2OH

DEFF Research Database (Denmark)

Hurley, Michael D.; Misner, Jessica A.; Ball, James C.

2005-01-01

Relative rate techniques were used to study the kinetics of the reactions of Cl atoms and OH radicals with CF3CH2C(O)H and CF3CH2CH2OH in 700 Torr of N-2 or air diluent at 296 2 K. The rate constants determined were k(Cl+CF3CH2C(O)H) = (1.81 +/- 0.27) x 10(-11), k(OH+CF3CH2C(O)H) = (2.57 +/- 0.44...

Windrow composting mitigated CH4 emissions: characterization of methanogenic and methanotrophic communities in manure management.

Science.gov (United States)

Chen, Ruirui; Wang, Yiming; Wei, Shiping; Wang, Wei; Lin, Xiangui

2014-12-01

With increasing livestock breeding, methane (CH4 ) emissions from manure management will increasingly contribute more to atmospheric CH4 concentration. The dynamics of methanogens and methanotrophs have not yet been studied in the manure environment. The current study combines surface CH4 emissions with methanogenic and methanotrophic community analyses from two management practices, windrow composting (WCOM) and solid storage (SSTO). Our results showed that there was an c. 50% reduction of CH4 emissions with WCOM compared with SSTO over a 50-day period. A sharp decrease in the quantities of both methanogens and methanotrophs in WCOM suggested that CH4 mitigation was mainly due to decreased CH4 production rather than increased CH4 oxidation. Pyrosequencing analysis demonstrated that aeration caused a clear shift of dominant methanogens in the manure, with specifically a significant decrease in Methanosarcina and increase in Methanobrevibacter. The composition of methanogenic community was influenced by manure management and regulated CH4 production. A sharp increase in the quantity of methanotrophs in SSTO suggested that microbial CH4 oxidation is an important sink for the CH4 produced. The increased abundance of Methylococcaceae in SSTO suggested that Type I methanotrophs have an advantage in CH4 oxidation in occupying niches under low CH4 and high O2 conditions. © 2014 Federation of European Microbiological Societies. Published by John Wiley & Sons Ltd. All rights reserved.

TRANSPORTATION RESEARCH CONTRIBUTIONS TO SOCIETY BY UNIVERSITY TRANSPORTATION CENTERS

Directory of Open Access Journals (Sweden)

Robert C. JOHNS

2003-01-01

Full Text Available This paper discusses the importance of knowledge in the global economy and reviews the process in which knowledge is applied to develop innovations. It confirms the importance of innovation as a key factor for success in today's competitive environment. The paper discusses the contributions a university can make to the innovation process in the field of transportation, and offers a vision of how a university center can enhance and facilitate these contributions. It then describes the efforts of one center, including three examples of innovations facilitated by the center in traffic detection, regional planning, and pavement management. The paper concludes with suggestions that would strengthen the societal contributions of university transportation centers.

Fate and Transport of Shale-derived, Biogenic Methane.

Science.gov (United States)

Hendry, M Jim; Schmeling, Erin E; Barbour, S Lee; Huang, M; Mundle, Scott O C

2017-07-07

Natural gas extraction from unconventional shale gas reservoirs is the subject of considerable public debate, with a key concern being the impact of leaking fugitive natural gases on shallow potable groundwater resources. Baseline data regarding the distribution, fate, and transport of these gases and their isotopes through natural formations prior to development are lacking. Here, we define the migration and fate of CH 4 and δ 13 C-CH 4 from an early-generation bacterial gas play in the Cretaceous of the Williston Basin, Canada to the water table. Our results show the CH 4 is generated at depth and diffuses as a conservative species through the overlying shale. We also show that the diffusive fractionation of δ 13 C-CH 4 (following glaciation) can complicate fugitive gas interpretations. The sensitivity of the δ 13 C-CH 4 profile to glacial timing suggests it may be a valuable tracer for characterizing the timing of geologic changes that control transport of CH 4 (and other solutes) and distinguishing between CH 4 that rapidly migrates upward through a well annulus or other conduit and CH 4 that diffuses upwards naturally. Results of this study were used to provide recommendations for designing baseline investigations.

Transport, Optical, and Magnetic Properties of the Conducting Halide Perovskite CH 3NH 3SnI 3

Science.gov (United States)

Mitzi, D. B.; Feild, C. A.; Schlesinger, Z.; Laibowitz, R. B.

1995-01-01

A low-temperature ( T ≤ 100°C) solution technique is described for the preparation of polycrystalline and single crystal samples of the conducting halide perovskite, CH 3NH 3SnI 3. Transport, Hall effect, magnetic, and optical properties are examined over the temperature range 1.8-300 K, confirming that this unusual conducting halide perovskite is a low carrier density p-type metal with a Hall hole density, 1/ RHe ≃ 2 × 10 19 cm -3. The resistivity of pressed pellet samples decreases with decreasing temperature with resistivity ratio ρ(300 K)/ρ(2 K) ≃ 3 and room temperature resistivity ρ(300 K) ≃ 7 mΩ-cm. A free-carrier infrared reflectivity spectrum with a plasma edge observed at approximately 1600 cm -1 further attests to the metallic nature of this compound and suggests a small optical effective mass, m* ≃ 0.2.

Leadership in non governmental sports organisations in Slovenia [Vůdcovská role v nevládních sportovních organizacích ve Slovinsku

Directory of Open Access Journals (Sweden)

Jakob Bednarik

2010-12-01

Full Text Available BACKGROUND: Voluntary work represents 13.5% of the economic strength of Slovenian extra curricular sport (Jurak & Bednarik, 2006. Therefore, managing such a significant source is an important task of Slovenian sports management. OBJECTIVE: The purpose of this study was to discover the existing characteristics of the leadership of voluntary workers in Slovenian non governmental sports organisations. METHODS: Research was carried out on a stratified sample of 190 leaders of non governmental sports organisations, who work in different segments of Slovenian sport. A questionnaire on styles of leadership, based on the Hersey-Blanchard situation model of leadership, was used in order to measure different styles of leadership. RESULTS: The study revealed that the leaders in sports organisations most often use the selling style of leadership (42% of cases, then the participating style (37%, whereas the telling style (12% and delegating style (9% are used rarely. Leaders adjust the style of leadership to individual circumstances; however, they do not use suitable style of leading for the level of follower readiness and circumstances. The style of leadership does not have a direct impact on the measured indicators of the success of sports organisations. The findings lead to the conclusion that the leadership of Slovenian non governmental sports organisations is generally blind to the importance of leadership in this context. CONCLUSIONS: Considering the above average results of the entire range of Slovenian sport, it can be assumed that the voluntary work in sports organisations represents one of the competitive advantages in our society. Thus, particular attention has to be paid to its developmental possibilities. The findings of the study lead to the suggestion of the foundation of a national strategy of voluntary work in sport.[VÝCHODISKA: Dobrovolná práce představuje 13,5 % ekonomické síly slovinských mimoškolních sportovních aktivit (Jurak

Rate constants for the reactions of OH with CH3Cl, CH2Cl2, CHCl3, and CH3Br

Science.gov (United States)

Hsu, K.-J.; Demore, W. B.

1994-01-01

Rate constants for the reactions of OH with CH3Cl, CH2Cl2, CHCl3, and CH3Br have been measured by a relative rate technique in which the reaction rate of each compound was compared to that of HFC-152a (CH3CHF2) and (for CH2Cl2) HFC-161 (CH3CH2F). Using absolute rate constants for HFC-152a and HFC-161, which we have determined relative to those for CH4, CH3CCl3, and C2H6, temperature dependent rate constants of both compounds were derived. The derived rate constant for CH3Br is in good agreement with recent absolute measurements. However, for the chloromethanes all the rate constants are lower at atmospheric temperatures than previously reported, especially for CH2Cl2 where the present rate constant is about a factor of 1.6 below the JPL 92-20 value. The new rate constant appears to resolve a discrepancy between the observed atmospheric concentrations and those calculated from the previous rate constant and estimated release rates.

Cholinesterase (ChE) response and related mortality among birds fed ChE inhibitors

Science.gov (United States)

Ludke, J.L.; Hill, E.F.; Dieter, M.P.

1975-01-01

Patterns of mortality and inhibition of brain and plasma ChE in birds treated with ChE inhibitors were studied in an attempt to determine the validity of using ChE activity as a monitoring and diagnostic technique. Analysis of brain ChE activity proved to be reliable for diagnosing and monitoring effects of selected ChE inhibitors in birds. Brain ChE inhibition exceeding 20% indicated exposure, and inhibition greater than 50% was sufficient for diagnosing cause of death. Individuals that died from dietary exposure to parathion or carbofuran had brain ChE activities below 55% of normal; although individuals could survive with brain ChE activity lower than 50%. Problems associated with collection, storage, and analysis of tissues for ChE activity are discussed.

Dissociative recombination and electron-impact de-excitation in CH photon emission under ITER divertor-relevant plasma conditions

NARCIS (Netherlands)

van Swaaij, G. A.; Bystrov, K.; Borodin, D.; Kirschner, A.; van der Vegt, L. B.; van Rooij, G. J.; De Temmerman, G.; W. J. Goedheer,

2012-01-01

For understanding carbon erosion and redeposition in nuclear fusion devices, it is important to understand the transport and chemical break-up of hydrocarbon molecules in edge plasmas, often diagnosed by emission of the CH A(2)Delta-X-2 Pi Gero band around 430 nm. The CH A-level can be excited

Hydrocarbon transport in the laboratory plasma (MAP)

Energy Technology Data Exchange (ETDEWEB)

Matsuyama, Seiji; Yamaguchi, Kenji; Yamawaki, Michio [Tokyo Univ., Tokai, Ibaraki (Japan). Nuclear Engineering Research Lab.; Tanaka, Satoru

1996-10-01

Hydrocarbons are admitted in the laboratory plasma in order to investigate the transport processes of carbon - containing molecules in relation to redeposition processes in the fusion boundary plasma. When CH{sub 4} was introduced into the plasma, CH radical band spectra were optically identified, while in the case of C{sub 2}H{sub 2} introduction, C{sub 2} radicals were also identified in addition to CH radicals. Excitation temperature was determined from CH and C{sub 2} spectra band, which was observed to increase on approaching to the target. (author)

Definice vnitřních zisků jako okrajových podmínek pro energetickou simulaci administrativních budov

NARCIS (Netherlands)

Duska, M; Drkal, F.; Hensen, J.L.M.

2006-01-01

Clánek zduraznuje význam volby vhodných okrajových podmínek pro správnost energetických simulacních výpoctu. Okrajové podmínky musí být vázány na úcel, pro který se simulacní výpocty provádí. Je predložen teoretický rozbor, metodologie a výsledky výpoctu ruzných okrajových podmínek stanovených z

Contribution of Anthropogenic and Natural Emissions to Global CH4 Balances by Utilizing δ13C-CH4 Observations in CarbonTracker Data Assimilation System (CTDAS)

Science.gov (United States)

Kangasaho, V. E.; Tsuruta, A.; Aalto, T.; Backman, L. B.; Houweling, S.; Krol, M. C.; Peters, W.; van der Laan-Luijkx, I. T.; Lienert, S.; Joos, F.; Dlugokencky, E. J.; Michael, S.; White, J. W. C.

2017-12-01

The atmospheric burden of CH4 has more than doubled since preindustrial time. Evaluating the contribution from anthropogenic and natural emissions to the global methane budget is of great importance to better understand the significance of different sources at the global scale, and their contribution to changes in growth rate of atmospheric CH4 before and after 2006. In addition, observations of δ13C-CH4 suggest an increase in natural sources after 2006, which matches the observed increase and variation of CH4 abudance. Methane emission sources can be identified using δ13C-CH4, because different sources produce methane with process-specific isotopic signatures. This study focuses on inversion model based estimates of global anthropogenic and natural methane emission rates to evaluate the existing methane emission estimates with a new δ13C-CH4 inversion system. In situ measurements of atmospheric methane and δ13C-CH4 isotopic signature, provided by the NOAA Global Monitoring Division and the Institute of Arctic and Alpine Research, will be assimilated into the CTDAS-13C-CH4. The system uses the TM5 atmospheric transport model as an observation operator, constrained by ECMWF ERA Interim meteorological fields, and off-line TM5 chemistry fields to account for the atmospheric methane sink. LPX-Bern DYPTOP ecosystem model is used for prior natural methane emissions from wetlands, peatlands and mineral soils, GFED v4 for prior fire emissions and EDGAR v4.2 FT2010 inventory for prior anthropogenic emissions. The EDGAR antropogenic emissions are re-divided into enteric fermentation and manure management, landfills and waste water, rice, coal, oil and gas, and residential emissions, and the trend of total emissions is scaled to match optimized anthropogenic emissions from CTE-CH4. In addition to these categories, emissions from termites and oceans are included. Process specific δ13C-CH4 isotopic signatures are assigned to each emission source to estimate 13CH4 fraction

Estudio del CH interestelar

Science.gov (United States)

Olano, C.; Lemarchand, G.; Sanz, A. J.; Bava, J. A.

El objetivo principal de este proyecto consiste en el estudio de la distribución y abundancia del CH en nubes interestelares a través de la observación de las líneas hiperfinas del CH en 3,3 GHz. El CH es una molécula de amplia distribución en el espacio interestelar y una de las pocas especies que han sido observadas tanto con técnicas de radio como ópticas. Desde el punto de vista tecnológico se ha desarrollado un cabezal de receptor que permitirá la realización de observaciones polarimétricas en la frecuencia de 3,3 GHz, con una temperatura del sistema de 60 K y un ancho de banda de 140 MHz, y que será instalado en el foco primario de la antena parabólica del IAR. El cabezal del receptor es capaz de detectar señales polarizadas, separando las componentes de polarización circular derecha e izquierda. Para tal fin el cabezal consta de dos ramas receptoras que amplificarán la señal y la trasladarán a una frecuencia más baja (frecuencia intermedia), permitiendo de esa forma un mejor transporte de la señal a la sala de control para su posterior procesamiento. El receptor además de tener características polarimétricas, podrá ser usado en el continuo y en la línea, utilizando las ventajas observacionales y de procesamiento de señal que actualmente posee el IAR.

New superhindered polydentate polyphosphine ligands P(CH2CH2P(t)Bu2)3, PhP(CH2CH2P(t)Bu2)2, P(CH2CH2CH2P(t)Bu2)3, and their ruthenium(II) chloride complexes.

Science.gov (United States)

Gilbert-Wilson, Ryan; Field, Leslie D; Bhadbhade, Mohan M

2012-03-05

The synthesis and characterization of the extremely hindered phosphine ligands, P(CH(2)CH(2)P(t)Bu(2))(3) (P(2)P(3)(tBu), 1), PhP(CH(2)CH(2)P(t)Bu(2))(2) (PhP(2)P(2)(tBu), 2), and P(CH(2)CH(2)CH(2)P(t)Bu(2))(3) (P(3)P(3)(tBu), 3) are reported, along with the synthesis and characterization of ruthenium chloro complexes RuCl(2)(P(2)P(3)(tBu)) (4), RuCl(2)(PhP(2)P(2)(tBu)) (5), and RuCl(2)(P(3)P(3)(tBu)) (6). The bulky P(2)P(3)(tBu) (1) and P(3)P(3)(tBu) (3) ligands are the most sterically encumbered PP(3)-type ligands so far synthesized, and in all cases, only three phosphorus donors are able to bind to the metal center. Complexes RuCl(2)(PhP(2)P(2)(tBu)) (5) and RuCl(2)(P(3)P(3)(tBu)) (6) were characterized by crystallography. Low temperature solution and solid state (31)P{(1)H} NMR were used to demonstrate that the structure of RuCl(2)(P(2)P(3)(tBu)) (4) is probably analogous to that of RuCl(2)(PhP(2)P(2)(tBu)) (5) which had been structurally characterized.

Proton Transport Chains in Glucose Metabolism: Mind the Proton

Directory of Open Access Journals (Sweden)

Dirk Roosterman

2018-06-01

Full Text Available The Embden–Meyerhof–Parnas (EMP pathway comprises eleven cytosolic enzymes interacting to metabolize glucose to lactic acid [CH3CH(OHCOOH]. Glycolysis is largely considered as the conversion of glucose to pyruvate (CH3COCOO-. We consider glycolysis to be a cellular process and as such, transporters mediating glucose uptake and lactic acid release and enable the flow of metabolites through the cell, must be considered as part of the EMP pathway. In this review, we consider the flow of metabolites to be coupled to a flow of energy that is irreversible and sufficient to form ordered structures. This latter principle is highlighted by discussing that lactate dehydrogenase (LDH complexes irreversibly reduce pyruvate/H+ to lactate [CH3CH(OHCOO-], or irreversibly catalyze the opposite reaction, oxidation of lactate to pyruvate/H+. However, both LDH complexes are considered to be driven by postulated proton transport chains. Metabolism of glucose to two lactic acids is introduced as a unidirectional, continuously flowing pathway. In an organism, cell membrane-located proton-linked monocarboxylate transporters catalyze the final step of glycolysis, the release of lactic acid. Consequently, both pyruvate and lactate are discussed as intermediate products of glycolysis and substrates of regulated crosscuts of the glycolytic flow.

CO2/CH4 Separation by a Mixed Matrix Membrane of Polymethylpentyne/MIL-53 Particles

Directory of Open Access Journals (Sweden)

Reza Abedini

2014-10-01

Full Text Available The effect of Materials Institute Lavoisier-53 (MIL-53 particles on gas transport properties of polymethylpentyne (PMP was investigated. MIL-53 was added to the polymer matrix with different loadings of 10, 20 and 30 wt%. The properties of MIL-53 and prepared membranes were analyzed through FTIR, SEM and TGA methods. The adsorption of CO2 and CH4 was conducted and analyzed accurately through Langmuir equation to investigate the gas transport properties of membranes. The results from TGA showed that degradation temperature (Td increases significantly with increasing MIL-53 loading. SEM images demonstrated that MIL-53 particles dispersed well in polymer matrix with no considerable agglomeration and no non-selective void formation at polymer/filler interface. In addition, CO2 and CH4 permeability measurement along with calculation of CO2/CH4 selectivity were performed. The results showed that the permeability of gases (especially for CO2 increased significantly by increasing the MIL-53 loading. Additionally, CO2/CH4 selectivity showed an increasing trend with increasing the MIL-53 weight percent. Unlike CH4, the CO2 solubility coefficient increased with increasing the MIL-53 loading because of high free volume of membrane and selective adsorption of CO2 with MIL-53. Despite CO2 solubility enhancement its diffusivity coefficient remained more or less unchanged. The enhancement in CH4 permeability has been mainly attributed to its slight incremental diffusivity due to the membrane's increasingly higher free volume. Finally, a comparison between membranes performance and CO2/CH4 Robeson upper bound showed that, the performance of membranes improved due to the presence of MIL-53 which was very close to the Robeson bound.

Transporter taxonomy - a comparison of different transport protein classification schemes.

Science.gov (United States)

Viereck, Michael; Gaulton, Anna; Digles, Daniela; Ecker, Gerhard F

2014-06-01

Currently, there are more than 800 well characterized human membrane transport proteins (including channels and transporters) and there are estimates that about 10% (approx. 2000) of all human genes are related to transport. Membrane transport proteins are of interest as potential drug targets, for drug delivery, and as a cause of side effects and drug–drug interactions. In light of the development of Open PHACTS, which provides an open pharmacological space, we analyzed selected membrane transport protein classification schemes (Transporter Classification Database, ChEMBL, IUPHAR/BPS Guide to Pharmacology, and Gene Ontology) for their ability to serve as a basis for pharmacology driven protein classification. A comparison of these membrane transport protein classification schemes by using a set of clinically relevant transporters as use-case reveals the strengths and weaknesses of the different taxonomy approaches.

Absence of Carbohydrate Response Element Binding Protein in Adipocytes Causes Systemic Insulin Resistance and Impairs Glucose Transport

Directory of Open Access Journals (Sweden)

Archana Vijayakumar

2017-10-01

Full Text Available Lower adipose-ChREBP and de novo lipogenesis (DNL are associated with insulin resistance in humans. Here, we generated adipose-specific ChREBP knockout (AdChREBP KO mice with negligible sucrose-induced DNL in adipose tissue (AT. Chow-fed AdChREBP KO mice are insulin resistant with impaired insulin action in the liver, muscle, and AT and increased AT inflammation. HFD-fed AdChREBP KO mice are also more insulin resistant than controls. Surprisingly, adipocytes lacking ChREBP display a cell-autonomous reduction in insulin-stimulated glucose transport that is mediated by impaired Glut4 translocation and exocytosis, not lower Glut4 levels. AdChREBP KO mice have lower levels of palmitic acid esters of hydroxy stearic acids (PAHSAs in serum, and AT. 9-PAHSA supplementation completely rescues their insulin resistance and AT inflammation. 9-PAHSA also normalizes impaired glucose transport and Glut4 exocytosis in ChREBP KO adipocytes. Thus, loss of adipose-ChREBP is sufficient to cause insulin resistance, potentially by regulating AT glucose transport and flux through specific lipogenic pathways.

Budoucnost benzinových dvoutaktních motorů

OpenAIRE

Kříž, Jakub

2015-01-01

Práce se zabývá historickým vývojem dvoudobých benzínových motorů od samých počátků vzniku dvoudobého cyklu, mapuje technologický vývoj těchto motorů až do dnešní doby, kde je v druhé polovině pozornost věnována přímému srovnání motoru dvoudobého se čtyřdobým v oblasti ultralightových letounů. My thesis deals with the historical development of two-stroke petrol engines from the very establishment of a two-stroke cycle, mapping the technological development of these engines up to present da...

Ammonium and methylammonium transport in Rhodobacter sphaeroides

International Nuclear Information System (INIS)

Cordts, M.L.; Gibson, J.

1987-01-01

Rhodobacter spheroides maintained intracellular ammonium pools of 1.1 to 2.6 mM during growth in several fixed nitrogen sources as well as during diazotrophic growth. Addition of 0.15 mM NH 4 + to washed, nitrogen-free cell suspensions was followed by linear uptake of NH 4 + from the medium and transient formation of intracellular pools of 0.9 to 1.5 mM NH 4 + . Transport of NH 4 + was shown to be independent of assimilation by glutamine synthetase because intracellular pools of over 1 mM represented NH 4 + concentration gradients of at least 100-fold across the cytoplasmic membrane. Ammonium pools of over 1 mM were also found in non-growing cell suspensions in nitrogen-free medium after glutamine synthetase was inhibited with methionine sulfoximine. In NH 4 + -free cell suspensions, methylammonium ( 14 CH 3 NH 3 + ) was taken up rapidly, and intracellular concentrations of 0.4 to 0.5 mM were maintained. The 14 CN 3 NH 3 + pool was not affected by methionine sulfoximine. Unlike NH 4 + uptake, 14 CH 3 NH 3 + uptake in nitrogen-free cell suspensions was repressed by growth in NH 4 + . These results suggest that R. sphaeroides may produce an NH 4 + -specific transport system in addition to the NH 4 + / 14 CH 3 NH 3 + transporter. This second transporter is able to produce normal-size NH 4 + pools but has very little affinity for 14 CH 3 NH 3 + and is not repressed by growth in high concentrations of NH 4 +

Study on the Promotion Effect of Ionic Liquid on CH4 Hydrate Formation

International Nuclear Information System (INIS)

Shin, Ju-Young; Mun, Sungyong; Kang, Seong-Pil; Kim, Kisub

2013-01-01

In this study, we investigated the kinetics of gas hydrate formation in the presence of ionic liquid (IL). Hydroxyethyl-methyl-morpholinium chloride (HEMM-Cl) was chosen as a material for the promotion effect test. Phase equilibrium curve for CH 4 hydrate with aqueous IL solution was obtained and its induction time and consumed amount of CH 4 gas were also measured. Aqueous solutions containing 20-20,000 ppm of HEMM-Cl was prepared and studied at 70 bar and 274.15 K. To compare the measured results to those of the conventional promoter, sodium dodecyl sulfate was also tested at the same condition. Result showed that the hydrate equilibrium curve was shifted toward higher pressure and lower temperature region. In addition, the induction time on CH 4 hydrate formation in the presence of IL was not shown. The amount of consumed CH 4 was increased with the whole range of tested concentration of IL and the highest consumption of CH 4 happened at 1,000 ppm of HEMM-Cl. HEMM-Cl induced and enhanced the CH 4 hydrate formation with a small amount of addition. Obtained result is expected to be applied for the development of technologies such as gas storage and transport using gas hydrates

Experimental measurements of vapor-liquid equilibria of the H2O + CO2 + CH4 ternary system

Science.gov (United States)

Qin, J.; Rosenbauer, R.J.; Duan, Zhenhao

2008-01-01

Reported are the experimental measurements on vapor-liquid equilibria in the H2O + CO2 + CH4 ternary system at temperatures from (324 to 375) K and pressures from (10 to 50) MPa. The results indicate that the CH4 solubility in the ternary mixture is about 10 % to 40 % more than that calculated by interpolation from the Henry's law constants of the binary system, H2O + CH4, and the solubility of CO2 is 6 % to 20 % more than what is calculated by the interpolation from the Henry's law constants of the binary mixture, H 2O + CO2. ?? 2008 American Chemical Society.

Methane emissions from sugarcane vinasse storage and transportation systems: Comparison between open channels and tanks

Science.gov (United States)

Oliveira, Bruna Gonçalves; Carvalho, João Luís Nunes; Chagas, Mateus Ferreira; Cerri, Carlos Eduardo Pellegrino; Cerri, Carlos Clemente; Feigl, Brigitte Josefine

2017-06-01

Over the last few years the brazilian sugarcane sector has produced an average of 23.5 million liters of ethanol annually. This scale of production generates large amounts of vinasse, which depending on the manner that is disposed, can result significant greenhouse gas emissions. This study aimed to quantify the methane (CH4) emissions associated with the two most widespread systems of vinasse storage and transportation used in Brazil; open channel and those comprising of tanks and pipes. Additionally, a laboratory incubation study was performed with the aim of isolating the effects of vinasse, sediment and the interaction between these factors on CH4 emissions. We observed significant differences in CH4 emissions between the sampling points along the channels during both years of evaluation (2012-2013). In the channel system, around 80% of CH4 emissions were recorded from uncoated sections. Overall, the average CH4 emission intensity was 1.36 kg CO2eq m-3 of vinasse transported in open channels, which was 620 times higher than vinasse transported through a system of tanks and closed pipes. The laboratory incubation corroborated field results, suggesting that vinasse alone does not contribute significant emissions of CH4. Higher CH4 emissions were observed when vinasse and sediment were incubated together. In summary, our findings demonstrate that CH4 emissions originate through the anaerobic decomposition of organic material deposited on the bottom of channels and tanks. The adoption of coated channels as a substitute to uncoated channels offers the potential for an effective and affordable means of reducing CH4 emissions. Ultimately, the modernization of vinasse storage and transportation systems through the adoption of tank and closed pipe systems will provide an effective strategy for mitigating CH4 emissions generated during the disposal phase of the sugarcane ethanol production process.

Child and adolescent service experience (ChASE): measuring service quality and therapeutic process.

Science.gov (United States)

Day, Crispin; Michelson, Daniel; Hassan, Imren

2011-11-01

OBJECTIVES. Dissatisfaction with services has been associated with poorer child mental health outcomes, early treatment termination as well as disagreements over the nature of mental health difficulties, reasons for referral and therapy goals. The development of straightforward, reliable, and accurate methods of eliciting service users' views is essential within child and adolescent mental health care. This paper describes the development of the child and adolescent service experience (ChASE), a tool to measure children and young people's service experience DESIGN. The study comprises a non-experimental, cross-sectional design. METHODS. Participants were 132 mental health service users aged 8-18 years. Participants and their main carer completed the ChASE, Parent Satisfaction Questionnaire (PSQ) (Stallard, 1996) and Strengths and Difficulties (SDQ) Impact Supplement. Clinicians completed the SDQ Impact Supplement and provided clinical activity data. A sub-sample of participants completed the ChASE on a second occasion, 6 weeks after the completion of the first questionnaire. RESULTS. Scrutiny of ChASE data indicated high levels of completion. Principal axis factoring identified three factors within the ChASE: Relationship, Privacy, and Session Activity. The ChASE has good internal consistency and test-retest reliability. Significant correlations were found between the ChASE and carer satisfaction, service use, and youth clinical outcomes. CONCLUSIONS. The ChASE is a short, psychometrically robust tool for routine measurement of children, and young people's experience of mental health services, which users can complete easily. The results underline the importance of alliance factors to children and young people and their association with clinical improvement as well as the potential for the ChASE to be used a measure of children's therapeutic progress and alliance. ©2011 The British Psychological Society.

The global variation of CH4 and CO as seen by SCIAMACHY

NARCIS (Netherlands)

Straume, A.G.; Schrijver, H.; Gloudemans, A.M.S.; Houweling, S.; Aben, I.; Maurellis, A.N.; de Laat, A.T.J.; Kleipool, Q.; Lichtenberg, G.; van Hees, R.; Meirink, J.F.; Krol, M.

2005-01-01

The methane (CH4) and carbon monoxide (CO) total columns retrieved from SCIAMACHY's near-infrared channel 8 have been compared to satellite measurements by the MOPITT instrument and chemistry transport model calculations (TM3). Results from the SRON retrieval algorithm IMLM (v5.1) are presented here

Dynamics of the F(-) + CH3I → HF + CH2I(-) Proton Transfer Reaction.

Science.gov (United States)

Zhang, Jiaxu; Xie, Jing; Hase, William L

2015-12-17

Direct chemical dynamics simulations, at collision energies Erel of 0.32 and 1.53 eV, were performed to obtain an atomistic understanding of the F(-) + CH3I reaction dynamics. There is only the F(-) + CH3I → CH3F + I(-) bimolecular nucleophilic substitution SN2 product channel at 0.32 eV. Increasing Erel to 1.53 eV opens the endothermic F(-) + CH3I → HF + CH2I(-) proton transfer reaction, which is less competitive than the SN2 reaction. The simulations reveal proton transfer occurs by two direct atomic-level mechanisms, rebound and stripping, and indirect mechanisms, involving formation of the F(-)···HCH2I complex and the roundabout. For the indirect trajectories all of the CH2I(-) is formed with zero-point energy (ZPE), while for the direct trajectories 50% form CH2I(-) without ZPE. Without a ZPE constraint for CH2I(-), the reaction cross sections for the rebound, stripping, and indirect mechanisms are 0.2 ± 0.1, 1.2 ± 0.4, and 0.7 ± 0.2 Å(2), respectively. Discarding trajectories that do not form CH2I(-) with ZPE reduces the rebound and stripping cross sections to 0.1 ± 0.1 and 0.7 ± 0.5 Å(2). The HF product is formed rotationally and vibrationally unexcited. The average value of J is 2.6 and with histogram binning n = 0. CH2I(-) is formed rotationally excited. The partitioning between CH2I(-) vibration and HF + CH2I(-) relative translation energy depends on the treatment of CH2I(-) ZPE. Without a CH2I(-) ZPE constraint the energy partitioning is primarily to relative translation with little CH2I(-) vibration. With a ZPE constraint, energy partitioning to CH2I(-) rotation, CH2I(-) vibration, and relative translation are statistically the same. The overall F(-) + CH3I rate constant at Erel of both 0.32 and 1.53 eV is in good agreement with experiment and negligibly affected by the treatment of CH2I(-) ZPE, since the SN2 reaction is the major contributor to the total reaction rate constant. The potential energy surface and reaction dynamics for F

Photovoltaic performance and the energy landscape of CH3NH3PbI3.

Science.gov (United States)

Zhou, Yecheng; Huang, Fuzhi; Cheng, Yi-Bing; Gray-Weale, Angus

2015-09-21

Photovoltaic cells with absorbing layers of certain perovskites have power conversion efficiencies up to 20%. Among these materials, CH3NH3PbI3 is widely used. Here we use density-functional theory to calculate the energies and rotational energy barriers of a methylammonium ion in the α or β phase of CH3NH3PbI3 with differently oriented neighbouring methylammonium ions. Our results suggest the methylammonium ions in CH3NH3PbI3 prefer to rotate collectively, and to be parallel to their neighbours. Changes in polarization on rotation of methylammonium ions are two to three times larger than those on relaxation of the lead ion from the centre of its coordination shell. The preferences for parallel configuration and concerted rotation, with the polarisation changes, are consistent with ferroelectricity in the material, and indicate that this polarisation is governed by methylammonium orientational correlations. We show that the field due to this polarisation is strong enough to screen the field hindering charge transport, and find this screening field in agreement with experiment. We examine two possible mechanisms for the effect of methylammonium ion rotation on photovoltaic performance. One is that rearrangement of methylammoniums promotes the creation and transport of charge carriers. Some effective masses change greatly, but changes in band structure with methylammonium rotation are not large enough to explain current-voltage hysteresis behaviour. The second possible mechanism is that polarization screens the hindering electric field, which arises from charge accumulation in the transport layers. Polarization changes on methylammonium rotation favour this second mechanism, suggesting that collective reorientation of methylammonium ions in the bulk crystal are in significant part responsible for the hysteresis and power conversion characteristics of CH3NH3PbI3 photovoltaic cells.

Charge carrier localised in zero-dimensional (CH3NH3)3Bi2I9 clusters.

Science.gov (United States)

Ni, Chengsheng; Hedley, Gordon; Payne, Julia; Svrcek, Vladimir; McDonald, Calum; Jagadamma, Lethy Krishnan; Edwards, Paul; Martin, Robert; Jain, Gunisha; Carolan, Darragh; Mariotti, Davide; Maguire, Paul; Samuel, Ifor; Irvine, John

2017-08-01

A metal-organic hybrid perovskite (CH 3 NH 3 PbI 3 ) with three-dimensional framework of metal-halide octahedra has been reported as a low-cost, solution-processable absorber for a thin-film solar cell with a power-conversion efficiency over 20%. Low-dimensional layered perovskites with metal halide slabs separated by the insulating organic layers are reported to show higher stability, but the efficiencies of the solar cells are limited by the confinement of excitons. In order to explore the confinement and transport of excitons in zero-dimensional metal-organic hybrid materials, a highly orientated film of (CH 3 NH 3 ) 3 Bi 2 I 9 with nanometre-sized core clusters of Bi 2 I 9 3- surrounded by insulating CH 3 NH 3 + was prepared via solution processing. The (CH 3 NH 3 ) 3 Bi 2 I 9 film shows highly anisotropic photoluminescence emission and excitation due to the large proportion of localised excitons coupled with delocalised excitons from intercluster energy transfer. The abrupt increase in photoluminescence quantum yield at excitation energy above twice band gap could indicate a quantum cutting due to the low dimensionality.Understanding the confinement and transport of excitons in low dimensional systems will aid the development of next generation photovoltaics. Via photophysical studies Ni et al. observe 'quantum cutting' in 0D metal-organic hybrid materials based on methylammonium bismuth halide (CH 3 NH 3 )3Bi 2 I 9 .

Capture and dissociation in the complex-forming CH + H2 → CH2 + H, CH + H2 reactions.

Science.gov (United States)

González, Miguel; Saracibar, Amaia; Garcia, Ernesto

2011-02-28

The rate coefficients for the capture process CH + H(2)→ CH(3) and the reactions CH + H(2)→ CH(2) + H (abstraction), CH + H(2) (exchange) have been calculated in the 200-800 K temperature range, using the quasiclassical trajectory (QCT) method and the most recent global potential energy surface. The reactions, which are of interest in combustion and in astrochemistry, proceed via the formation of long-lived CH(3) collision complexes, and the three H atoms become equivalent. QCT rate coefficients for capture are in quite good agreement with experiments. However, an important zero point energy (ZPE) leakage problem occurs in the QCT calculations for the abstraction, exchange and inelastic exit channels. To account for this issue, a pragmatic but accurate approach has been applied, leading to a good agreement with experimental abstraction rate coefficients. Exchange rate coefficients have also been calculated using this approach. Finally, calculations employing QCT capture/phase space theory (PST) models have been carried out, leading to similar values for the abstraction rate coefficients as the QCT and previous quantum mechanical capture/PST methods. This suggests that QCT capture/PST models are a good alternative to the QCT method for this and similar systems.

CH-53K Heavy Lift Replacement Helicopter (CH-53K)

Science.gov (United States)

2015-12-01

Selected Acquisition Report (SAR) RCS: DD-A&T(Q&A)823-390 CH-53K Heavy Lift Replacement Helicopter (CH-53K) As of FY 2017 President’s Budget...December 2015 SAR March 4, 2016 10:04:18 UNCLASSIFIED 4 Col Henry Vanderborght PMA-261 Heavy Lift Helicopters Program Executive Office - Air, Anti...757-5780 Fax: 301-757-5109 DSN Phone: 757-5780 DSN Fax: 757-5109 Date Assigned: May 29, 2014 Program Information Program Name CH-53K Heavy Lift

Impact of genome assembly status on ChIP-Seq and ChIP-PET data mapping

Directory of Open Access Journals (Sweden)

Sachs Laurent

2009-12-01

Full Text Available Abstract Background ChIP-Seq and ChIP-PET can potentially be used with any genome for genome wide profiling of protein-DNA interaction sites. Unfortunately, it is probable that most genome assemblies will never reach the quality of the human genome assembly. Therefore, it remains to be determined whether ChIP-Seq and ChIP-PET are practicable with genome sequences other than a few (e.g. human and mouse. Findings Here, we used in silico simulations to assess the impact of completeness or fragmentation of genome assemblies on ChIP-Seq and ChIP-PET data mapping. Conclusions Most currently published genome assemblies are suitable for mapping the short sequence tags produced by ChIP-Seq or ChIP-PET.

Vývoj kompozitních maltových a cementových směsí

OpenAIRE

Hlavinková, Eva

2014-01-01

Předkládaná diplomová práce se zabývá návrhem složení a studiem vlastností ternárního pojivého systému na bázi účelového vzniku ettringitu, následně užitého k přípravě samonivelačních podlahových hmot typu potěr a stěrka. U navržených skladeb daných směsí je posléze zaměřena pozornost na optimalizaci dávkování dvou druhů plastifikační přísady s následným posouzením jejich vlivu na technologické vlastnosti těchto hmot. This diploma thesis deals with the design of composition and the study o...

Ultraviolet absorption spectra and kinetics of CH3S and CH2SH radicals

DEFF Research Database (Denmark)

Anastasi, C.; Broomfield, M.; Nielsen, O.J.

1991-01-01

The ultraviolet absorption spectra of CH3S and CH2SH radicals have been measured between 215 and 380 nm using the pulse-radiolysis/kinetic-absorption method. One absorption band between 250 and 300 nm and one around 215 nm have been tentatively assigned to the CH2SH and CH3S radicals, respectively....... This spectrum has been used to measure the self-reaction rates of these radicals. Rate constants of 4 x 10(-11) and 7 x 10(-11) cm3 molecule-1 s-1 have been measured at 298 K for CH3S and CH2SH recombination, respectively. The possible reaction pathways are discussed....

Conformational and spectroscopic study of xanthogen ethyl formates, ROC(S)SC(O)OCH2CH3. Isolation of CH3CH2OC(O)SH

Science.gov (United States)

Juncal, Luciana C.; Cozzarín, Melina V.; Romano, Rosana M.

2015-03-01

ROC(S)SC(O)OCH2CH3, with R = CH3sbnd , (CH3)2CHsbnd and CH3(CH2)2sbnd , were obtained through the reaction between potassium xanthate salts, ROC(S)SK, and ethyl chloroformate, ClC(O)OCH2CH3. The liquid compounds were identified and characterized by 1H and 13C NMR and mass spectrometry. The conformations adopted by the molecules were studied by DFT methods. 6 conformers were theoretically predicted for R = CH3sbnd and (CH3)2CHsbnd , while the conformational flexibility of the n-propyl substituent increases the total number of feasible rotamers to 21. For the three molecules, the conformers can be associated in 3 groups, being the most stable the AS forms - the Cdbnd S double bond anti (A) with respect to the Csbnd S single bond and the Ssbnd C single bond syn (S) with respect to the Cdbnd O double bond - followed by AA and SS conformers. The vibrational spectra were interpreted in terms of the predicted conformational equilibrium, presenting the ν(Cdbnd O) spectral region signals corresponding to the three groups of conformers. A moderated pre-resonance Raman enhancement of the ν(Cdbnd S) vibrational mode of CH3(CH2)2OC(S)SC(O)OCH2CH3 was detected, when the excitation radiation approaches the energy of a n → π∗ electronic transition associated with the Cdbnd S chromophore. UV-visible spectra in different solvents were measured and interpreted in terms of TD-DFT calculations. The unknown molecule CH3CH2OC(O)SH was isolated by the UV-visible photolysis of CH3OC(S)SC(O)OCH2CH3 isolated in Ar matrix, and also obtained as a side-product of the reaction between potassium xanthate salts, ROC(S)SK, and ethyl chloroformate, ClC(O)OCH2CH3.

Ab Initio Chemical Kinetics for the CH3 + O((3)P) Reaction and Related Isomerization-Decomposition of CH3O and CH2OH Radicals.

Science.gov (United States)

Xu, Z F; Raghunath, P; Lin, M C

2015-07-16

The kinetics and mechanism of the CH3 + O reaction and related isomerization-decomposition of CH3O and CH2OH radicals have been studied by ab initio molecular orbital theory based on the CCSD(T)/aug-cc-pVTZ//CCSD/aug-cc-pVTZ, CCSD/aug-cc-pVDZ, and G2M//B3LYP/6-311+G(3df,2p) levels of theory. The predicted potential energy surface of the CH3 + O reaction shows that the CHO + H2 products can be directly generated from CH3O by the TS3 → LM1 → TS7 → LM2 → TS4 path, in which both LM1 and LM2 are very loose and TS7 is roaming-like. The result for the CH2O + H reaction shows that there are three low-energy barrier processes including CH2O + H → CHO + H2 via H-abstraction and CH2O + H → CH2OH and CH2O + H → CH3O by addition reactions. The predicted enthalpies of formation of the CH2OH and CH3O radicals at 0 K are in good agreement with available experimental data. Furthermore, the rate constants for the forward and some key reverse reactions have been predicted at 200-3000 K under various pressures. Based on the new reaction pathway for CH3 + O, the rate constants for the CH2O + H and CHO + H2 reactions were predicted with the microcanonical variational transition-state/Rice-Ramsperger-Kassel-Marcus (VTST/RRKM) theory. The predicted total and individual product branching ratios (i.e., CO versus CH2O) are in good agreement with experimental data. The rate constant for the hydrogen abstraction reaction of CH2O + H has been calculated by the canonical variational transition-state theory with quantum tunneling and small-curvature corrections to be k(CH2O + H → CHO + H2) = 2.28 × 10(-19) T(2.65) exp(-766.5/T) cm(3) molecule(-1) s(-1) for the 200-3000 K temperature range. The rate constants for the addition giving CH3O and CH2OH and the decomposition of the two radicals have been calculated by the microcanonical RRKM theory with the time-dependent master equation solution of the multiple quantum well system in the 200-3000 K temperature range at 1 Torr to

Condensed history Monte Carlo methods for photon transport problems

International Nuclear Information System (INIS)

Bhan, Katherine; Spanier, Jerome

2007-01-01

We study methods for accelerating Monte Carlo simulations that retain most of the accuracy of conventional Monte Carlo algorithms. These methods - called Condensed History (CH) methods - have been very successfully used to model the transport of ionizing radiation in turbid systems. Our primary objective is to determine whether or not such methods might apply equally well to the transport of photons in biological tissue. In an attempt to unify the derivations, we invoke results obtained first by Lewis, Goudsmit and Saunderson and later improved by Larsen and Tolar. We outline how two of the most promising of the CH models - one based on satisfying certain similarity relations and the second making use of a scattering phase function that permits only discrete directional changes - can be developed using these approaches. The main idea is to exploit the connection between the space-angle moments of the radiance and the angular moments of the scattering phase function. We compare the results obtained when the two CH models studied are used to simulate an idealized tissue transport problem. The numerical results support our findings based on the theoretical derivations and suggest that CH models should play a useful role in modeling light-tissue interactions

CH4 emissions from European Major Population Centers: Results from aircraft-borne CH4 in-situ observations during EMeRGe-Europe campaign 2017

Science.gov (United States)

Roiger, A.; Klausner, T.; Schlager, H.; Ziereis, H.; Huntrieser, H.; Baumann, R.; Eirenschmalz, L.; Joeckel, P.; Mertens, M.; Fisher, R.; Bauguitte, S.; Young, S.; Andrés Hernández, M. D.

2017-12-01

Urban environments represent large and diffuse area sources of CH4 including emissions from pipeline leaks, industrial/sewage treatment plants, and landfills. However, there is little knowledge about the exact magnitude of these emissions and their contribution to total anthropogenic CH4. Especially in the context of an urbanizing world, a better understanding of the methane footprint of urban areas is crucial, both with respect to mitigation and projection of climate impacts. Aircraft-borne in-situ measurements are particularly useful to both quantify emissions from such area sources, as well as to study their impact on the regional distribution. However, airborne CH4 observations downstream of European cities are especially sparse.Here we report from aircraft-borne CH4 in-situ measurements as conducted during the HALO aircraft campaign EMeRGe (Effect of Megacities on the Transport and Transformation of Pollutants on the Regional to Global Scales) in July 2017, which was led by the University of Bremen, Germany. During seven research flights, emissions from a variety of European (Mega)-cities were probed at different altitudes from 3km down to 500m, including measurements in the outflows of London, Rome, Po Valley, Ruhr and Benelux. We will present and compare the CH4 distribution measured downstream of the various studied urban hot-spots. With the help of other trace gas measurements (including e.g. CO2, CO, O3, SO2), observed methane enhancements will be attributed to the different potential source types. Finally, by the combination of in-situ measurements and regional model simulations using the EMAC-MECO(n) model, the contribution of emissions from urban centers to the regional methane budget over Europe will be discussed.

Testing the accuracy of correlations for multicomponent mass transport of adsorbed gases in metal-organic frameworks: diffusion of H2/CH4 mixtures in CuBTC.

Science.gov (United States)

Keskin, Seda; Liu, Jinchen; Johnson, J Karl; Sholl, David S

2008-08-05

Mass transport of chemical mixtures in nanoporous materials is important in applications such as membrane separations, but measuring diffusion of mixtures experimentally is challenging. Methods that can predict multicomponent diffusion coefficients from single-component data can be extremely useful if these methods are known to be accurate. We present the first test of a method of this kind for molecules adsorbed in a metal-organic framework (MOF). Specifically, we examine the method proposed by Skoulidas, Sholl, and Krishna (SSK) ( Langmuir, 2003, 19, 7977) by comparing predictions made with this method to molecular simulations of mixture transport of H 2/CH 4 mixtures in CuBTC. These calculations provide the first direct information on mixture transport of any species in a MOF. The predictions of the SSK approach are in good agreement with our direct simulations of binary diffusion, suggesting that this approach may be a powerful one for examining multicomponent diffusion in MOFs. We also use our molecular simulation data to test the ideal adsorbed solution theory method for predicting binary adsorption isotherms and a method for predicting mixture self-diffusion coefficients.

Rate Constants for the Reactions of OH with CH(sub 3)Cl, CH(sub 2) C1(sub 2), CHC1(sub 3)and CH(sub 3)Br

Science.gov (United States)

Hsu, H-J.; DeMore, W.

1994-01-01

Rate constants for the reactions of OH with CH3C1, CH2Cl2, CHCl3 and CH3Br have been measured by a relative rate technique in which the reaction rate of each compound was compared to that of HFC-152a (CH3CHF2)and for CH2Cl2, HFC-161 (CH3CH2F).

Sediment transport processes and their resulting stratigraphy: informing science and society

Science.gov (United States)

Nittrouer, J. A.

2013-12-01

decades, there have been numerous scientific advances pertaining to the coupling of sediment transport and hydrodynamics. This research has produced new theory about how sediments accumulating in many unique environments shape the stratigraphic record. Recent studies have taken advantage of novel methods for acquiring observational data, which in turn have been used to advance numerical modeling schemes as well as experimental designs. As an example, consider fluvial deltas: here, hydrodynamics are constantly evolving over space and time. Patterns of sediment deposition and erosion (from dune to delta-lobe scales), resolved using high-resolution 3-D acoustic data, are used as input data to construct models that further show how channel dynamics (e.g., avulsions) and kinematics (e.g., lateral migration) evolve due to sediment and hydrodynamic coupling. This information is used to propose new theories of delta stratigraphy, which are then tested by examining ancient fluvial-delta systems. Finally, research efforts evaluating modern sediment-transport and depositional processes offer significant benefits to society. For example, fluvial deltas are heavily relied upon for societal welfare and yet are among the most dynamic landscapes on Earth's surface. Therefore, research examining the evolution of these landscapes not only advances basic science, but also doubles as an exercise in applied geomorphology.

European Society for Paediatric Endocrinology Consensus Guidelines on Screening, Diagnosis, and Management of Congenital Hypothyroidism

Science.gov (United States)

Léger, Juliane; Olivieri, Antonella; Donaldson, Malcolm; Torresani, Toni; Krude, Heiko; van Vliet, Guy; Polak, Michel

2014-01-01

Objective: The aim was to formulate practice guidelines for the diagnosis and management of congenital hypothyroidism (CH). Evidence: A systematic literature search was conducted to identify key articles relating to the screening, diagnosis, and management of CH. The evidence-based guidelines were developed with the Grading of Recommendations, Assessment, Development and Evaluation (GRADE) system, describing both the strength of recommendations and the quality of evidence. In the absence of sufficient evidence, conclusions were based on expert opinion. Consensus Process: Thirty-two participants drawn from the European Society for Paediatric Endocrinology and five other major scientific societies in the field of pediatric endocrinology were allocated to working groups with assigned topics and specific questions. Each group searched the literature, evaluated the evidence, and developed a draft document. These papers were debated and finalized by each group before presentation to the full assembly for further discussion and agreement. Recommendations: The recommendations include: worldwide neonatal screening, approaches to assess the cause (including genotyping) and the severity of the disorder, the immediate initiation of appropriate L-T4 supplementation and frequent monitoring to ensure dose adjustments to keep thyroid hormone levels in the target ranges, a trial of treatment in patients suspected of transient CH, regular assessments of developmental and neurosensory functions, consulting health professionals as appropriate, and education about CH. The harmonization of diagnosis, management, and routine health surveillance would not only optimize patient outcomes, but should also facilitate epidemiological studies of the disorder. Individuals with CH require monitoring throughout their lives, particularly during early childhood and pregnancy. PMID:24446653

Decadal changes in CH4 and CO2 emissions on the Alaskan North Slope

Science.gov (United States)

Sweeney, C.; Commane, R.; Wofsy, S.; Dlugokencky, E. J.; Karion, A.; Stone, R. S.; Chang, R.; Tans, P. P.; Wolter, S.

2016-12-01

Large changes in surface air temperature, sea ice cover and permafrost in the Arctic Boreal Ecosystems (ABE) are significantly impacting the critical ecosystem services and human societies that are dependent on the ABE. In order to predict the outcome of continued change in the climate system of the ABE, it is necessary to look at how past changes in climate have affected the ABE. We look at 30 years of CH4 and 42 years of CO2 observations from the NOAA Global Greenhouse Gas Reference Network site in Barrow, Alaska. By eliminating background trends and only looking at data collected when winds are blowing off the North Slope we find very little change in CH4 enhancements, but significant changes in the CO2 enhancements coming off the tundra. The bulk of both CO2 and CH4 emissions appear to be emitted well after the first snow fall on the North Slope. CO2 emissions are a strongly correlation with summer surface temperatures, while CH4 emissions appear insensitive to the large temperature changes that occurred over the measurement period. These results suggest that CO2, and not CH4 emissions, are a likely pathway for the degradation of permafrost carbon.

Transport and transformation of soil-derived CO2, CH4 and DOC sustain CO2 supersaturation in small boreal streams.

Science.gov (United States)

Rasilo, Terhi; Hutchins, Ryan H S; Ruiz-González, Clara; Del Giorgio, Paul A

2017-02-01

Streams are typically supersaturated in carbon dioxide (CO 2 ) and methane (CH 4 ), and are recognized as important components of regional carbon (C) emissions in northern landscapes. Whereas there is consensus that in most of the systems the CO 2 emitted by streams represents C fixed in the terrestrial ecosystem, the pathways delivering this C to streams are still not well understood. We assessed the contribution of direct soil CO 2 injection versus the oxidation of soil-derived dissolved organic C (DOC) and CH 4 in supporting CO 2 supersaturation in boreal streams in Québec. We measured the concentrations of CO 2 , CH 4 and DOC in 43 streams and adjacent soil waters during summer base-flow period. A mass balance approach revealed that all three pathways are significant, and that the mineralization of soil-derived DOC and CH 4 accounted for most of the estimated stream CO 2 emissions (average 75% and 10%, respectively), and that these estimated contributions did not change significantly between the studied low order (≤3) streams. Whereas some of these transformations take place in the channel proper, our results suggest that they mainly occur in the hyporheic zones of the streams. Our results further show that stream CH 4 emissions can be fully explained by soil CH 4 inputs. This study confirms that these boreal streams, and in particular their hyporheic zones, are extremely active processors of soil derived DOC and CH 4 , not just vents for soil produced CO 2 . Copyright © 2016 Elsevier B.V. All rights reserved.

Comparing genome-wide chromatin profiles using ChIP-chip or ChIP-seq

NARCIS (Netherlands)

Johannes, Frank; Wardenaar, Rene; Colomé Tatché, Maria; Mousson, Florence; de Graaf, Petra; Mokry, Michal; Guryev, Victor; Timmers, H. Th. Marc; Cuppen, Edwin; Jansen, Ritsert C.; Bateman, Alex

2010-01-01

Motivation: ChIP-chip and ChIP-seq technologies provide genomewide measurements of various types of chromatin marks at an unprecedented resolution. With ChIP samples collected from different tissue types and/ or individuals, we can now begin to characterize stochastic or systematic changes in

Comparing genome-wide chromatin profiles using ChIP-chip or ChIP-seq

NARCIS (Netherlands)

Johannes, F.; Wardenaar, R.; Colome-Tatche, M.; Mousson, F.; de Graaf, P.; Mokry, M.; Guryev, V.; Timmers, H.T.; Cuppen, E.; Jansen, R.

2010-01-01

MOTIVATION: ChIP-chip and ChIP-seq technologies provide genome-wide measurements of various types of chromatin marks at an unprecedented resolution. With ChIP samples collected from different tissue types and/or individuals, we can now begin to characterize stochastic or systematic changes in

Bimolecular reaction of CH3 + CO in solid p-H2: Infrared absorption of acetyl radical (CH3CO) and CH3-CO complex

Science.gov (United States)

Das, Prasanta; Lee, Yuan-Pern

2014-06-01

We have recorded infrared spectra of acetyl radical (CH3CO) and CH3-CO complex in solid para-hydrogen (p-H2). Upon irradiation at 248 nm of CH3C(O)Cl/p-H2 matrices, CH3CO was identified as the major product; characteristic intense IR absorption features at 2990.3 (ν9), 2989.1 (ν1), 2915.6 (ν2), 1880.5 (ν3), 1419.9 (ν10), 1323.2 (ν5), 836.6 (ν7), and 468.1 (ν8) cm-1 were observed. When CD3C(O)Cl was used, lines of CD3CO at 2246.2 (ν9), 2244.0 (ν1), 1866.1 (ν3), 1046.7 (ν5), 1029.7 (ν4), 1027.5 (ν10), 889.1 (ν6), and 723.8 (ν7) cm-1 appeared. Previous studies characterized only three vibrational modes of CH3CO and one mode of CD3CO in solid Ar. In contrast, upon photolysis of a CH3I/CO/p-H2 matrix with light at 248 nm and subsequent annealing at 5.1 K before re-cooling to 3.2 K, the CH3-CO complex was observed with characteristic IR features at 3165.7, 3164.5, 2150.1, 1397.6, 1396.4, and 613.0 cm-1. The assignments are based on photolytic behavior, observed deuterium isotopic shifts, and a comparison of observed vibrational wavenumbers and relative IR intensities with those predicted with quantum-chemical calculations. This work clearly indicates that CH3CO can be readily produced from photolysis of CH3C(O)Cl because of the diminished cage effect in solid p-H2 but not from the reaction of CH3 + CO because of the reaction barrier. Even though CH3 has nascent kinetic energy greater than 87 kJ mol-1 and internal energy ˜42 kJ mol-1 upon photodissociation of CH3I at 248 nm, its energy was rapidly quenched so that it was unable to overcome the barrier height of ˜27 kJ mol-1 for the formation of CH3CO from the CH3 + CO reaction; a barrierless channel for formation of a CH3-CO complex was observed instead. This rapid quenching poses a limitation in production of free radicals via bimolecular reactions in p-H2.

The rate of charge tunneling is insensitive to polar terminal groups in self-assembled monolayers in Ag(TS)S(CH2)(n)M(CH2)(m)T//Ga2O3/EGaIn junctions.

Science.gov (United States)

Yoon, Hyo Jae; Bowers, Carleen M; Baghbanzadeh, Mostafa; Whitesides, George M

2014-01-08

This paper describes a physical-organic study of the effect of uncharged, polar, functional groups on the rate of charge transport by tunneling across self-assembled monolayer (SAM)-based large-area junctions of the form Ag(TS)S(CH2)(n)M(CH2)(m)T//Ga2O3/EGaIn. Here Ag(TS) is a template-stripped silver substrate, -M- and -T are "middle" and "terminal" functional groups, and EGaIn is eutectic gallium-indium alloy. Twelve uncharged polar groups (-T = CN, CO2CH3, CF3, OCH3, N(CH3)2, CON(CH3)2, SCH3, SO2CH3, Br, P(O)(OEt)2, NHCOCH3, OSi(OCH3)3), having permanent dipole moments in the range 0.5 < μ < 4.5, were incorporated into the SAM. A comparison of the electrical characteristics of these junctions with those of junctions formed from n-alkanethiolates led to the conclusion that the rates of charge tunneling are insensitive to the replacement of terminal alkyl groups with the terminal polar groups in this set. The current densities measured in this work suggest that the tunneling decay parameter and injection current for SAMs terminated in nonpolar n-alkyl groups, and polar groups selected from common polar organic groups, are statistically indistinguishable.

Dumping and illegal transport of hazardous waste, danger of modern society.

Science.gov (United States)

Obradović, Mario; Kalambura, Sanja; Smolec, Danijel; Jovicić, Nives

2014-06-01

Increasing the production of hazardous waste during the past few years and stricter legislation in the area of permanent disposal and transportation costs were significantly elevated above activities. This creates a new, highly lucrative gray market which opens the way for the criminalization. Of great importance is the identification of illegal trafficking of hazardous waste since it can have a significant impact on human health and environmental pollution. Barriers to effective engagement to prevent these activities may vary from region to region, country to country, but together affect the ability of law enforcement authorities to ensure that international shipments of hazardous waste comply with national laws and maritime regulations. This paper will overview the legislation governing these issues, and to analyze the barriers to their implementation, but also try to answer the question of why and how this type of waste traded. Paper is an overview of how Croatia is prepared to join the European Union in this area and indicates the importance and necessity of the cooperation of all of society, and international organizations in the fight with the new trend of environmental crime.

Investigation of local carbon transport in the ASDEX Upgrade divertor using {sup 13}CH{sub 4} puffing

Energy Technology Data Exchange (ETDEWEB)

Pugno, R. [Max-Planck-Institut fuer Plasmaphysik, IPP-EURATOM Association, Boltzmannstr. 2, D-85748 Garching (Germany)], E-mail: Roberto.Pugno@ipp.mpg.de; Krieger, K. [Max-Planck-Institut fuer Plasmaphysik, IPP-EURATOM Association, Boltzmannstr. 2, D-85748 Garching (Germany); Airila, M.; Aho-Mantila, L. [Helsinki University of Technology, Association EURATOM-Tekes, P.O. Box 4100, FI-02015 TKK (Finland); Kreter, A.; Brezinsek, S. [Institut fuer Plasmaphysik, Forschungzentrum Juelich GmbH, EURATOM Association, Trilateral Euregio Cluster, D-52425 Juelich (Germany); Rohde, V.; Coster, D.; Chankin, A.; Wischmeier, M. [Max-Planck-Institut fuer Plasmaphysik, IPP-EURATOM Association, Boltzmannstr. 2, D-85748 Garching (Germany)

2009-06-15

To investigate the combined effect of re-deposition, re-erosion and local transport, known quantities of {sup 13}CH{sub 4} were puffed at the end of the 2007 experimental campaign in the ASDEX Upgrade outboard divertor. Exposed tiles were carefully removed for analysis. The amount of {sup 13}C locally deposited was measured by nuclear reaction analysis (NRA) and colorimetry. About 100% of injected carbon is deposited within a {+-} 15 cm extension in the toroidal direction. In contrast to H-mode results where re-deposition was exclusively downstream, in L-mode, more than one third of the injected hydrocarbon is found upstream. Colorimetric analysis of images taken with different lighting angles to the surface reveals a strong asymmetry in the carbon deposition pattern with respect to the injection facing/averting side of the surface roughness, with 4x thicker layers on the side facing the puffing location. The deposition pattern deviates clearly from the magnetic trajectories showing the effect of downward and radial drifts. ERO modelling of a similar experiment carried out in 2003 in H-mode background plasma can nicely reproduce the toroidal deposition pattern but drifts are not yet satisfactory described.

High pressure pure- and mixed-gas separation of CO2/CH4 by thermally-rearranged and carbon molecular sieve membranes derived from a polyimide of intrinsic microporosity

KAUST Repository

Swaidan, Raja

2013-11-01

Natural gas sweetening, one of the most promising venues for the growth of the membrane gas separation industry, is dominated by polymeric materials with relatively low permeabilities and moderate selectivities. One strategy towards improving the gas transport properties of a polymer is enhancement of microporosity either by design of polymers of intrinsic microporosity (PIMs) or by thermal treatment of polymeric precursors. For the first time, the mixed-gas CO2/CH4 transport properties are investigated for a complete series of thermally-rearranged (TR) (440°C) and carbon molecular sieve (CMS) membranes (600, 630 and 800°C) derived from a polyimide of intrinsic microporosity (PIM-6FDA-OH). The pressure dependence of permeability and selectivity is reported up to 30bar for 1:1, CO2:CH4 mixed-gas feeds at 35°C. The TR membrane exhibited ~15% higher CO2/CH4 selectivity relative to pure-gas feeds due to reductions in mixed-gas CH4 permeability reaching 27% at 30bar. This is attributed to increased hindrance of CH4 transport by co-permeation of CO2. Interestingly, unusual increases in mixed-gas CH4 permeabilities relative to pure-gas values were observed for the CMS membranes, resulting in up to 50% losses in mixed-gas selectivity over the applied pressure range. © 2013 Elsevier B.V.

Atividade das glicosidases na presença de chá verde e de chá preto

OpenAIRE

Pereira,L.L.S.; Souza,S.P.; Silva,M.C; Carvalho,G.A.; Santos,C.D.; Corrêa,A.D.; Abreu,C.M.P.

2010-01-01

Várias plantas têm sido consideradas produtos terapêuticos, dentre elas destacam-se os chás verde e preto, popularmente utilizados para controle da hiperglicemia e obesidade. Objetivou-se neste trabalho avaliar o potencial inibitório sobre as enzimas α-amilase, α e β-glicosidases e o teor de compostos fenólicos do chá verde e do chá preto. O teor de compostos fenólicos encontrados foram de 80,8 ± 0,43 mg g-1 no chá preto e 32,0 ± 0,12 mg g-1 no chá verde. O chá verde e o chá pr...

Ammonium and methylammonium transport in Rhodobacter sphaeroides

Energy Technology Data Exchange (ETDEWEB)

Cordts, M.L.; Gibson, J.

1987-04-01

Rhodobacter spheroides maintained intracellular ammonium pools of 1.1 to 2.6 mM during growth in several fixed nitrogen sources as well as during diazotrophic growth. Addition of 0.15 mM NH/sub 4//sup +/ to washed, nitrogen-free cell suspensions was followed by linear uptake of NH/sub 4//sup +/ from the medium and transient formation of intracellular pools of 0.9 to 1.5 mM NH/sub 4//sup +/. Transport of NH/sub 4//sup +/ was shown to be independent of assimilation by glutamine synthetase because intracellular pools of over 1 mM represented NH/sub 4//sup +/ concentration gradients of at least 100-fold across the cytoplasmic membrane. Ammonium pools of over 1 mM were also found in non-growing cell suspensions in nitrogen-free medium after glutamine synthetase was inhibited with methionine sulfoximine. In NH/sub 4//sup +/-free cell suspensions, methylammonium (/sup 14/CH/sub 3/NH/sub 3//sup +/) was taken up rapidly, and intracellular concentrations of 0.4 to 0.5 mM were maintained. The /sup 14/CN/sub 3/NH/sub 3//sup +/ pool was not affected by methionine sulfoximine. Unlike NH/sub 4//sup +/ uptake, /sup 14/CH/sub 3/NH/sub 3//sup +/ uptake in nitrogen-free cell suspensions was repressed by growth in NH/sub 4//sup +/. These results suggest that R. sphaeroides may produce an NH/sub 4//sup +/-specific transport system in addition to the NH/sub 4//sup +///sup 14/CH/sub 3/NH/sub 3//sup +/ transporter. This second transporter is able to produce normal-size NH/sub 4//sup +/ pools but has very little affinity for /sup 14/CH/sub 3/NH/sub 3//sup +/ and is not repressed by growth in high concentrations of NH/sub 4//sup +/.

Louisiana SIP: LAC 33:III Ch. 14 Subchap B, 1431 to 1434--Conformity to State or Federal Implementation Plans of Transportation Plans, Programs, and Projects Developed, Funded, or Approved Under Title 23 U.S.C. or the Federal Transit Laws

Science.gov (United States)

Louisiana SIP: LAC 33:III Ch. 14 Subchap B, 1431 to 1434--Conformity to State or Federal Implementation Plans of Transportation Plans, Programs, and Projects Developed, Funded, or Approved Under Title 23 U.S.C. or the Federal Transit Laws

Inhibition of Ps Formation in Benzene and Cyclohexane by CH3CI and CH3Br

DEFF Research Database (Denmark)

Wikander, G.; Mogensen, O. E.; Pedersen, Niels Jørgen

1983-01-01

Positron-annihilation lifetime spectra have been measured for mixtures of CH3Cl and CH3Br in cyclohexane and of CH3Cl in benzene. The ortho-positronium (Ps) yield decreased monotonically from 38% and 43% in cyclohexane and benzene respectively to 11% in pure CH3Cl and 6% in pure CH3Br. The strength......− anions to form Ps. while it forms a bound state with the halides. X−. CH3Cl was a roughly three times weaker Ps inhibitor in benzene than in cyclohexane, which shows that CH3Cl− does not dechlorinate in times comparable to or shorter than 400–500 ps in benzene. An improved model for the explanation of Ps...

Quantifying 12/13CH4 migration and fate following sub-surface release to an agricultural soil

International Nuclear Information System (INIS)

Shaw, G.; Atkinson, B.; Meredith, W.; Snape, C.; Steven, M.; Hoch, A.; Lever, D.

2014-01-01

Following gas generation in a Geological Disposal Facility (GDF), 14 C-containing gases could migrate through the geosphere, eventually diffusing into soils at the Earth's surface. This paper reports summary results from laboratory and field experiments to obtain information on the probable rates of a) diffusive transport and b) oxidation of 12/13 CH 4 (as a surrogate for 14 CH 4) in a typical agricultural soil in the UK. Rates of CH 4 oxidation were generally low in the field and undisturbed soil columns, though a re-packed column of homogenised topsoil oxidised ambient atmospheric CH 4 20× faster than an undisturbed soil column. In contrast to low observed rates of CH 4 oxidation, the effective diffusion of CH 4 through the soil was rapid. Isotopically labelled CH 4 injected at a depth of 45 cm in the field diffused to the surface and exited the soil over a time period ranging from 8 to 24 h. The rate of CH 4 diffusion through the soil was increased by the presence of ryegrass roots which increased soil porosity and decreased water content. δ 13 C values for laboratory column soils after labelled CH 4 injection experiments showed no sign of residual 13 C, despite the extremely high δ 13 C values of the injected 12/13 CH 4 . If laboratory observations are confirmed by measurements in field samples it can be concluded that the majority of 14 CH 4 from a GDF which enters a soil with low methanotrophic activity will be lost to the free atmosphere after diffusing rapidly through the soil column

Submillimeter laboratory identification of CH{sup +} and CH{sub 2}D{sup +}

Energy Technology Data Exchange (ETDEWEB)

Amano, T. [Department of Chemistry and Department of Physics and Astronomy, University of Waterloo, Waterloo, ON N2L 3G1 (Canada)

2015-01-22

Laboratory identification of two basic and important interstellar molecular ions is presented. The J = 1 - 0 rotational transition of {sup 12}CH{sup +} together with those of {sup 13}CH{sup +} and {sup 12}CD{sup +} was observed in the laboratory. The newly obtained frequencies were found to be different from those reported previously. Various experimental evidences firmly support the new measurements. In addition, the Zeeman effect and the spin-rotation hyperfine interaction enforce the laboratory identification with no ambiguity. Rotational lines of CH{sub 2}D{sup +} were observed in the submillimeter-wave region. This laboratory observation is consistent with a recent tentative identification of CH{sub 2}D{sup +} toward Ori IRc2.

The Conference Proceedings of the 2003 Air Transport Research Society (ATRS) World Conference, Volume 5

Science.gov (United States)

Bowen, Brent (Editor); Gudmundsson, Sveinn (Editor); Oum, Tae (Editor)

2003-01-01

The UNO Aviation Institute Monograph Series began in 1994 as a key component of the education outreach and information transfer missions of the Aviation Institute and the NASA Nebraska Space Grant & EPSCoR Programs. The series is an outlet for aviation materials to be indexed and disseminated through an efficient medium. Publications are welcome in all aspects of aviation. Publication formats may include, but are not limited to, conference proceedings, bibliographies, research reports, manuals, technical reports, and other documents that should be archived and indexed for future reference by the aviation and world wide communities. The Conference proceedings of the 2003 Air Transport Research Society (ATRS) world conference, volume 5 is presented. The topics include: 1) The Temporal Configuration of Airline Networks in Europe; 2) Determination and Applications of Environmental Costs at Different Sized Airports-Aircraft Noise and Engine Emissions; 3) Cost Effective Measures to Reduce CO2 Emissions in the Air Freight Sector; 4) An Assessment of the Sustainability of Air Transport System: Quantification of Indicators; 5) Regulation, Competition and Network Evolution in Aviation; 6) Regulation in the Air: Price and Frequency Cap; 7) Industry Consolidation and Future Airline Network Structures in Europe; 8) Application of Core Theory to the U.S. Airline Industry; 9) Air Freight Transshipment Route Choice Analysis; 10) A Fuzzy Approach of the Competition on Air Transport Market; and 11) Developing Passenger Demand Models for International Aviation from/to Egypt: A Case Study of Cairo Airport and Egyptair.

Observation of CH4 and other Non-CO2 Green House Gas Emissions from California

Energy Technology Data Exchange (ETDEWEB)

Fischer, Marc L.; Zhao, Chuanfeng; Riley, William J.; Andrews, Arlyn C.

2009-01-09

In 2006, California passed the landmark assembly bill AB-32 to reduce California's emissions of greenhouse gases (GHGs) that contribute to global climate change. AB-32 commits California to reduce total GHG emissions to 1990 levels by 2020, a reduction of 25 percent from current levels. To verify that GHG emission reductions are actually taking place, it will be necessary to measure emissions. We describe atmospheric inverse model estimates of GHG emissions obtained from the California Greenhouse Gas Emissions Measurement (CALGEM) project. In collaboration with NOAA, we are measuring the dominant long-lived GHGs at two tall-towers in central California. Here, we present estimates of CH{sub 4} emissions obtained by statistical comparison of measured and predicted atmospheric mixing ratios. The predicted mixing ratios are calculated using spatially resolved a priori CH{sub 4} emissions and surface footprints, that provide a proportional relationship between the surface emissions and the mixing ratio signal at tower locations. The footprints are computed using the Weather Research and Forecast (WRF) coupled to the Stochastic Time-Inverted Lagrangian Transport (STILT) model. Integral to the inverse estimates, we perform a quantitative analysis of errors in atmospheric transport and other factors to provide quantitative uncertainties in estimated emissions. Regressions of modeled and measured mixing ratios suggest that total CH{sub 4} emissions are within 25% of the inventory estimates. A Bayesian source sector analysis obtains posterior scaling factors for CH{sub 4} emissions, indicating that emissions from several of the sources (e.g., landfills, natural gas use, petroleum production, crops, and wetlands) are roughly consistent with inventory estimates, but livestock emissions are significantly higher than the inventory. A Bayesian 'region' analysis is used to identify spatial variations in CH{sub 4} emissions from 13 sub-regions within California

Nuclear Hyperfine Structure in the Donor – Acceptor Complexes (CH3)3N-BF3 and (CH)33N-B(CH3)3

Science.gov (United States)

The donor-acceptor complexes (CH3)3N-BF3 and (CH3)3N-B(CH3)3 have been reinvestigated at high resolution by rotational spectroscopy in a supersonic jet. Nuclear hyperfine structure resulting from both nitrogen and boron has been resolved and quadrupole coupling constants have bee...

An overview of the Chemistry-Aerosol Mediterranean Experiment (ChArMEx)

Science.gov (United States)

Dulac, François

2014-05-01

The Chemistry-Aerosol Mediterranean Experiment (ChArMEx, http://charmex.lsce.ipsl.fr) is a French initiative of the MISTRALS meta-programme (Mediterranean Integrated Studies at Regional And Locals Scales, http://www.mistrals-home.org). It federates a great number of national and international cooperative research actions aiming at a scientific assessment of the present and future state of the atmospheric environment in the Mediterranean Basin, and of its impacts on the regional climate, air quality, and marine biogeochemistry. The target is short-lived particulate and gaseous tropospheric trace species which are the cause of poor air quality events, have two-way interactions with climate, or impact the marine biogeochemistry, in a context of strong regional anthropogenic and climatic pressures. The six ChArMEx work packages include Emissions, Chemical processes and ageing, Transport processes and air quality, Aerosol-radiation-climate interactions, Deposition, and Present and future variability and trends. For several years, efforts have been deployed in several countries to develop (i) a network of relevant stations for atmospheric chemistry at background sites on islands and continental coasts around the basin and (ii) several intensive field campaigns including the operation of surface supersites and various instrumented mobile platforms (large and ultra-light aircraft, sounding and drifting balloons, ZeroCO2 sailboat). This presentation is an attempt to provide an overview of the various experimental, remote sensing and modelling efforts produced and to highlight major findings, by referencing more detailed ChArMEx presentations given in this conference and recently published or submitted papers. During the first phase of the project experimental efforts have been mainly concentrated on the western basin. Plans for the 2nd phase of ChArMEx, more dedicated towards the eastern basin, will also be given. In particular we plan to develop monitoring activities at

Metabolite Regulation of Nuclear Localization of Carbohydrate-response Element-binding Protein (ChREBP): ROLE OF AMP AS AN ALLOSTERIC INHIBITOR.

Science.gov (United States)

Sato, Shogo; Jung, Hunmin; Nakagawa, Tsutomu; Pawlosky, Robert; Takeshima, Tomomi; Lee, Wan-Ru; Sakiyama, Haruhiko; Laxman, Sunil; Wynn, R Max; Tu, Benjamin P; MacMillan, John B; De Brabander, Jef K; Veech, Richard L; Uyeda, Kosaku

2016-05-13

The carbohydrate-response element-binding protein (ChREBP) is a glucose-responsive transcription factor that plays an essential role in converting excess carbohydrate to fat storage in the liver. In response to glucose levels, ChREBP is regulated by nuclear/cytosol trafficking via interaction with 14-3-3 proteins, CRM-1 (exportin-1 or XPO-1), or importins. Nuclear localization of ChREBP was rapidly inhibited when incubated in branched-chain α-ketoacids, saturated and unsaturated fatty acids, or 5-aminoimidazole-4-carboxamide ribonucleotide. Here, we discovered that protein-free extracts of high fat-fed livers contained, in addition to ketone bodies, a new metabolite, identified as AMP, which specifically activates the interaction between ChREBP and 14-3-3. The crystal structure showed that AMP binds directly to the N terminus of ChREBP-α2 helix. Our results suggest that AMP inhibits the nuclear localization of ChREBP through an allosteric activation of ChREBP/14-3-3 interactions and not by activation of AMPK. AMP and ketone bodies together can therefore inhibit lipogenesis by restricting localization of ChREBP to the cytoplasm during periods of ketosis. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Transuranic package transporter (TRUPACT) system design status and operational support equipment

International Nuclear Information System (INIS)

Johanson, N.W.; Meyer, R.J.; Romesberg, L.E.; Pope, R.B.

1983-01-01

A program was initiated in the late 1970's at Sandia National Laboratories to develop an efficient, safe, reliable, and cost-effective transportation packaging system for the carriage of contact-handled transuranic (CH-TRU) waste within the Department of Energy (DOE) complex. It is anticipated that eventually a family of TRUPACT (TRansUranic PACKage Transporter) systems having varied dimensions and weight/volume capacities will be needed by the DOE to transport different CH-TRU waste forms. Each TRUPACT system will be a Type B packaging. Large quantities of CH-TRU wastes having many different forms, isotopic contents, and contained in a variety of waste containers have been, are being, and will continue to be produced and stored for ultimate disposal. Packaging design is being closely coordinated with facility designs to ensure the rapid and economic integration of the TRUPACT system. The first packaging developed for transport by truck or rail (bimodal) is designated TRUPACT-I and will become operational in 1984. This paper provides an overview of progress on the TRUPACT-I design and details of equipment to be used for interfacing with users

Exploratory of society

Science.gov (United States)

Cederman, L.-E.; Conte, R.; Helbing, D.; Nowak, A.; Schweitzer, F.; Vespignani, A.

2012-11-01

A huge flow of quantitative social, demographic and behavioral data is becoming available that traces the activities and interactions of individuals, social patterns, transportation infrastructures and travel fluxes. This has caused, together with innovative computational techniques and methods for modeling social actions in hybrid (natural and artificial) societies, a qualitative change in the ways we model socio-technical systems. For the first time, society can be studied in a comprehensive fashion that addresses social and behavioral complexity. In other words we are in the position to envision the development of large data and computational cyber infrastructure defining an exploratory of society that provides quantitative anticipatory, explanatory and scenario analysis capabilities ranging from emerging infectious disease to conflict and crime surges. The goal of the exploratory of society is to provide the basic infrastructure embedding the framework of tools and knowledge needed for the design of forecast/anticipatory/crisis management approaches to socio technical systems, supporting future decision making procedures by accelerating the scientific cycle that goes from data generation to predictions.

Využití separačních metod pro studium biologicky aktivních látek ve vodách

OpenAIRE

Vydrová, Lucie

2011-01-01

Léčiva patří mezi biologicky aktivní látky, které se odlišují různými funkčními skupinami, fyzikálně-chemickými a biologickými vlastnostmi. Tyto chemické látky, v současnosti zařazované mezi „nové“ kontaminanty, se kumulují v různých složkách životního prostředí. Do životního prostředí se dostávají v průběhu jejich průmyslové výroby, dále v důsledku používání v léčebných zařízeních nebo v domácnostech. Protože se jedná o látky biologicky aktivní, mohou v různých složkách životního prostředí n...

Laboratory-scale measurements of N2O and CH4 emissions from hybrid poplars (Populus deltoides x Populus nigra).

Science.gov (United States)

McBain, M C; Warland, J S; McBride, R A; Wagner-Riddle, C

2004-12-01

The purpose of this study was to determine whether or not young hybrid poplar (Populus deltoides x Populus nigra) could transport landfill biogas internally from the root zone to the atmosphere, thereby acting as conduits for landfill gas release. Fluxes of methane (CH4) and nitrous oxide (N2O) from the seedlings to the atmosphere were measured under controlled conditions using dynamic flux chambers and a tunable diode laser trace gas analyser (TDLTGA). Nitrous oxide was emitted from the seedlings, but only when extremely high soil N2O concentrations were applied to the root zone. In contrast, no detectable emissions of CH4 were measured in a similar experimental trial. Visible plant morphological responses, characteristic of flood-tolerant trees attempting to cope with the negative effects of soil hypoxia, were observed during the CH4 experiments. Leaf chlorosis, leaf abscission and adventitious roots were all visible plant responses. In addition, seedling survival was observed to be highest in the biogas 'hot spot' areas of a local municipal solid waste landfill involved in this study. Based on the available literature, these observations suggest that CH4 can be transported internally by Populus deltoides x Populus nigra seedlings in trace amounts, although future research is required to fully test this hypothesis.

From California dreaming to California data: Challenging historic models for landfill CH4 emissions

Directory of Open Access Journals (Sweden)

Kurt Spokas

2015-06-01

Full Text Available Abstract Improved quantification of diverse CH4 sources at the urban scale is needed to guide local GHG mitigation strategies in the Anthropocene. Herein, we focus on landfill CH4 emissions in California, challenging the current IPCC methodology which focuses on a climate dependency for landfill CH4 generation (methanogenesis, but does not explicitly consider climate or soil dependencies for emissions. Relying on a comprehensive California landfill database, a field-validated process-based model for landfill CH4 emissions (CALMIM, and select field measurements at 10 California sites with a variety of methods, we support the contrary position: Limited climate dependency for methanogenesis, but strong climate dependency for landfill CH4 emissions. Contrary to the historic IPCC empirical model for methanogenesis with kinetic constants related to climate, we demonstrate a simpler and more robust linear empirical relationship (r2 = 0.85; n=128 between waste mass and landfill biogas recovery [126 × 10-6 Nm3 CH4 hr-1 Mgwaste-1]. More interestingly, there are no statistically significant relationships with climate, site age, or status (open/closed for landfill biogas recovery. The current IPCC methodology does not consider soil or climate drivers for gaseous transport or seasonal methanotrophy in different cover soils. On the other hand, we illustrate strong climate and soil dependencies for landfill emissions—e.g., average intermediate cover emissions below 20 g CH4 m-2 d-1 when the site’s mean annual precipitation is >500 mm y-1. Thereby, for the California landfill CH4 inventory, the highest-emitting sites shift from landfills containing the largest mass of waste to sites dominated by intermediate cover types having a reduced rate of soil CH4 oxidation during the annual cycle. These differences have profound implications for developing more realistic, science-based urban and regional scale GHG inventories for landfill CH4 while reducing

(CH4)-C-14 Measurements in Greenland Ice: Investigating Last Glacial Termination CH4 Sources

DEFF Research Database (Denmark)

Petrenko, V. V.; Smith, A. M.; Brook, E. J.

2009-01-01

by direct cosmogenic C-14 production in ice. C-14 of CO was measured to better understand this process and correct the sample (CH4)-C-14. Corrected results suggest that wetland sources were likely responsible for the majority of the Younger Dryas-Preboreal CH4 rise.......The cause of a large increase of atmospheric methane concentration during the Younger Dryas-Preboreal abrupt climatic transition (similar to 11,600 years ago) has been the subject of much debate. The carbon-14 (C-14) content of methane ((CH4)-C-14) should distinguish between wetland and clathrate...... contributions to this increase. We present measurements of (CH4)-C-14 in glacial ice, targeting this transition, performed by using ice samples obtained from an ablation site in west Greenland. Measured (CH4)-C-14 values were higher than predicted under any scenario. Sample (CH4)-C-14 appears to be elevated...

Tidal influence on the sea-to-air transfer of CH4 in the coastal ocean

International Nuclear Information System (INIS)

Hahm, Doshik; Kim, Guebuem; Lee, Yong-Woo; Nam, Sungh-Yun; Kim, Kyung-Ryul; Kim, Kuh

2006-01-01

We obtained real-time monitoring data of water temperature, salinity, wind, current, CH 4 and other oceanographic parameters in a coastal bay in the southern sea of Korea from July 8 to August 15, 2003, using an environmental monitoring buoy. In general, the transfer velocity of environmental gases across the air-sea interface is obtained exclusively from empirical relationships with wind speeds. However, our monitoring data demonstrate that the agitation of the aqueous boundary layer is controlled significantly by tidal turbulence, similar to the control exercised by wind stress in the coastal ocean. The sea-to-air transfer of CH 4 is enhanced significantly during spring tide due to an increase in the gas transfer velocity and vertical CH 4 transport from bottom water to the surface layer. Thus, our unique time-series results imply that the sea-to-air transfer of gases, such as CH 4 , DMS, DMHg, N 2 O, CO 2 and 222 Rn, from highly enriched coastal bottom waters, is controlled not only by episodic wind events but also by regular tidal turbulence in the coastal ocean

Problematika stanovení reziduí léčiv v odpadních vodách

OpenAIRE

Lisá, Hana

2011-01-01

Předložená práce se zabývá stanovením tetracyklinů a sulfonamidů s trimethoprimem v odpadních vodách. Tetracykliny a sulfonamidy patří mezi široce používaná léčiva v humánní i veterinární medicíně. Jedná se o látky biologicky aktivní, které blokující biologické procesy v čistírnách odpadních vod a svou přítomností mohou negativně ovlivnit mikroorganismy v povrchových vodách. Bylo také prokázáno, že díky přítomnosti nízkých koncentrací těchto látek v životním prostředí si mohou mikroorganismy ...

Effects of Boreal Lake Wetlands on Atmospheric 13CH3D and 12CH2D2

Science.gov (United States)

Haghnegahdar, M. A.; Kohl, I. E.; Schauble, E. A.; Walter Anthony, K. M.; Young, E. D.

2017-12-01

Recently, we developed a theoretical model to investigate the potential use of 13CH3D and 12CH2D2 as tools for tracking atmospheric methane budget. We used electronic structure methods to estimate kinetic isotope fractionations associated with the major sink reactions of CH4 in air (reactions with •OH and Cl•), and literature data with reconnaissance measurements of the relative abundances of 13CH3D and 12CH2D2 to estimate the compositions of the largest atmospheric sources. Here we present new methane rare isotopologue data from boreal wetlands, comprising one of the most important sources, in order to evaluate the robustness of the model. Boreal wetlands (>55° N) account for more than half of the wetland area in the Northern hemisphere. We analyzed methane samples from high latitude lakes representing different geographical regions, geological and ecological contexts, methane fluxes, and isotopic signatures. Using clumped isotopes of CH4 we are able to determine the likely production mechanism for natural CH4 samples. So far, all of our analyzed samples except one plot in the microbial pure-culture methanogenesis field (Young et al. 2017) with ranges of -0.2‰ to +1.2‰ for Δ13CH3D, and -29.6‰ to -18.2‰ for Δ12CH2D2. These compositions are far from equilibrium. The one exception, from Lake Doughnut, Alaska, exhibits Δ13CH3D and Δ12CH2D2 values of +5.2‰ and +18.7‰, respectively, which fall near ambient thermodynamic equilibrium values. This may be an effect of methanotrophy. Mean Δ13CH3D and Δ12CH2D2 for all lake samples are +1.7‰ and -15.4‰ respectively, compared to our original estimate of +6.1‰ and +21.2‰ for the wetland methane source based on an assumption of equilibrium. If we assume that these samples are representative of the overall wetland source, Δ13CH3D decreases by 0.8‰ and Δ12CH2D2 decreases by 0.6‰ in our model of bulk atmospheric methane. Δ13CH3D and Δ12CH2D2 values of air (including •OH and Cl• sink

ChIPWig: a random access-enabling lossless and lossy compression method for ChIP-seq data.

Science.gov (United States)

Ravanmehr, Vida; Kim, Minji; Wang, Zhiying; Milenkovic, Olgica

2018-03-15

Chromatin immunoprecipitation sequencing (ChIP-seq) experiments are inexpensive and time-efficient, and result in massive datasets that introduce significant storage and maintenance challenges. To address the resulting Big Data problems, we propose a lossless and lossy compression framework specifically designed for ChIP-seq Wig data, termed ChIPWig. ChIPWig enables random access, summary statistics lookups and it is based on the asymptotic theory of optimal point density design for nonuniform quantizers. We tested the ChIPWig compressor on 10 ChIP-seq datasets generated by the ENCODE consortium. On average, lossless ChIPWig reduced the file sizes to merely 6% of the original, and offered 6-fold compression rate improvement compared to bigWig. The lossy feature further reduced file sizes 2-fold compared to the lossless mode, with little or no effects on peak calling and motif discovery using specialized NarrowPeaks methods. The compression and decompression speed rates are of the order of 0.2 sec/MB using general purpose computers. The source code and binaries are freely available for download at https://github.com/vidarmehr/ChIPWig-v2, implemented in C ++. milenkov@illinois.edu. Supplementary data are available at Bioinformatics online.

Evolution of Chemical Composition, Morphology, and Photovoltaic Efficiency of CH 3 NH 3 PbI 3 Perovskite under Ambient Conditions

KAUST Repository

Huang, Weixin; Manser, Joseph S.; Kamat, Prashant V.; Ptasinska, Sylwia

2016-01-01

© 2015 American Chemical Society. The surface composition and morphology of CH3NH3PbI3 perovskite films stored for several days under ambient conditions were investigated by X-ray photoelectron spectroscopy, scanning electron microscopy, and X-ray diffraction techniques. Chemical analysis revealed the loss of CH3NH3 + and I- species from CH3NH3PbI3 and its subsequent decomposition into lead carbonate, lead hydroxide, and lead oxide. After long-term storage under ambient conditions, morphological analysis revealed the transformation of randomly distributed defects and cracks, initially present in the densely packed crystalline structure, into relatively small grains. In contrast to PbI2 powder, CH3NH3PbI3 exhibited a different degradation trend under ambient conditions. Therefore, we propose a plausible CH3NH3PbI3 decomposition pathway that explains the changes in the chemical composition of CH3NH3PbI3 under ambient conditions. In addition, films stored under such conditions were incorporated into photovoltaic cells, and their performances were examined. The chemical changes in the decomposed films were found to cause a significant decrease in the photovoltaic efficiency of CH3NH3PbI3.

Evolution of Chemical Composition, Morphology, and Photovoltaic Efficiency of CH 3 NH 3 PbI 3 Perovskite under Ambient Conditions

KAUST Repository

Huang, Weixin

2016-01-12

© 2015 American Chemical Society. The surface composition and morphology of CH3NH3PbI3 perovskite films stored for several days under ambient conditions were investigated by X-ray photoelectron spectroscopy, scanning electron microscopy, and X-ray diffraction techniques. Chemical analysis revealed the loss of CH3NH3 + and I- species from CH3NH3PbI3 and its subsequent decomposition into lead carbonate, lead hydroxide, and lead oxide. After long-term storage under ambient conditions, morphological analysis revealed the transformation of randomly distributed defects and cracks, initially present in the densely packed crystalline structure, into relatively small grains. In contrast to PbI2 powder, CH3NH3PbI3 exhibited a different degradation trend under ambient conditions. Therefore, we propose a plausible CH3NH3PbI3 decomposition pathway that explains the changes in the chemical composition of CH3NH3PbI3 under ambient conditions. In addition, films stored under such conditions were incorporated into photovoltaic cells, and their performances were examined. The chemical changes in the decomposed films were found to cause a significant decrease in the photovoltaic efficiency of CH3NH3PbI3.

Low carbon society scenario analysis of transport sector of an emerging economy—The AIM/Enduse modelling approach

International Nuclear Information System (INIS)

Selvakkumaran, Sujeetha; Limmeechokchai, Bundit

2015-01-01

The transport sector of a country is the backbone driving the economy forward. Thailand’s land transport sector is modelled using the AIM/Enduse, which is a recursive dynamic optimization model, based on bottom-up modelling principle. The travel demand is divided into two major categories which are passenger travel and freight travel. The objective of this paper is to analyse the mitigation possible through low carbon society (LCS) measures and emission tax (ET). Two scenario clusters are devised along with the BAU case. The LCS scenario cluster has three designed scenarios which are LCS-L, LCS-M and LCS-H. The emission tax (ET) cluster has four scenarios, where the taxes of 50, 100, 200 and 500 USD/t-CO 2 are implemented. Along with this the marginal abatement costs (MAC) of the counter-measures (CMs) and the co-benefits in terms of energy security, productivity and air pollutant mitigation are also assessed. Results show that LCS scenarios are possible of mitigating up to 1230 Mt-CO 2 cumulatively, from 2010 to 2050. In terms of MACs, new vehicles play a pivotal role, along with hybrid vehicles. The Average Abatement Cost (AAC) assessment shows that the AAC of LCS-H scenario is in the order of 100 USD/t-CO 2 . All the LCS and ET scenarios show an enhancement in energy security and also a threefold increase in productivity. There is distinct mitigation in terms of air pollutants from the transport sector as well. -- Highlights: •Thailand transport sector has been modelled using AIM/Enduse model. •Potential cumulative mitigation of CO 2 during 2010–2050 is approximately 30% when compared the BAU scenario. •Abatement cost curves show that various counter measures are practical in the transport sector. •Energy security is enhanced due to CO 2 mitigation in the LCS scenario

Bayesian Modeling of ChIP-chip Data Through a High-Order Ising Model

KAUST Repository

Mo, Qianxing

2010-01-29

ChIP-chip experiments are procedures that combine chromatin immunoprecipitation (ChIP) and DNA microarray (chip) technology to study a variety of biological problems, including protein-DNA interaction, histone modification, and DNA methylation. The most important feature of ChIP-chip data is that the intensity measurements of probes are spatially correlated because the DNA fragments are hybridized to neighboring probes in the experiments. We propose a simple, but powerful Bayesian hierarchical approach to ChIP-chip data through an Ising model with high-order interactions. The proposed method naturally takes into account the intrinsic spatial structure of the data and can be used to analyze data from multiple platforms with different genomic resolutions. The model parameters are estimated using the Gibbs sampler. The proposed method is illustrated using two publicly available data sets from Affymetrix and Agilent platforms, and compared with three alternative Bayesian methods, namely, Bayesian hierarchical model, hierarchical gamma mixture model, and Tilemap hidden Markov model. The numerical results indicate that the proposed method performs as well as the other three methods for the data from Affymetrix tiling arrays, but significantly outperforms the other three methods for the data from Agilent promoter arrays. In addition, we find that the proposed method has better operating characteristics in terms of sensitivities and false discovery rates under various scenarios. © 2010, The International Biometric Society.

A facility design for repackaging ORNL CH-TRU legacy waste in Building 3525

International Nuclear Information System (INIS)

Huxford, T.J.; Cooper, R.H. Jr.; Davis, L.E.; Fuller, A.B.; Gabbard, W.A.; Smith, R.B.; Guay, K.P.; Smith, L.C.

1995-07-01

For the last 25 years, the Oak Ridge National Laboratory (ORNL) has conducted operations which have generated solid, contact-handled transuranic (CH-TRU) waste. At present the CH-TRU waste inventory at ORNL is about 3400 55-gal drums retrievably stored in RCRA-permitted, aboveground facilities. Of the 3400 drums, approximately 2600 drums will need to be repackaged. The current US Department of Energy (DOE) strategy for disposal of these drums is to transport them to the Waste Isolation Pilot Plant (WIPP) in New Mexico which only accepts TRU waste that meets a very specific set of criteria documented in the WIPP-WAC (waste acceptance criteria). This report describes activities that were performed from January 1994 to May 1995 associated with the design and preparation of an existing facility for repackaging and certifying some or all of the CH-TRU drums at ORNL to meet the WIPP-WAC. For this study, the Irradiated Fuel Examination Laboratory (IFEL) in Building 3525 was selected as the reference facility for modification. These design activities were terminated in May 1995 as more attractive options for CH-TRU waste repackaging were considered to be available. As a result, this document serves as a final report of those design activities

Direct observation of unimolecular decay of CH{sub 3}CH{sub 2}CHOO Criegee intermediates to OH radical products

Energy Technology Data Exchange (ETDEWEB)

Fang, Yi; Liu, Fang; Lester, Marsha I., E-mail: milester@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104-6323 (United States); Klippenstein, Stephen J. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2016-07-28

The unimolecular decay of carbonyl oxide intermediates, known as Criegee intermediates, produced in alkene ozonolysis is a significant source of OH radicals in the troposphere. Here, the rate of appearance of OH radical products is examined directly in the time-domain for a prototypical alkyl-substituted Criegee intermediate, CH{sub 3}CH{sub 2}CHOO, following vibrational activation under collision-free conditions. Complementary statistical Rice–Ramsperger–Kassel–Marcus calculations of the microcanonical unimolecular decay rate for CH{sub 3}CH{sub 2}CHOO are also carried out at energies in the vicinity of the barrier for 1,4 hydrogen atom transfer that leads to OH products. Tunneling through the barrier, derived from high level electronic structure calculations, contributes significantly to the decay rate. Infrared transitions of CH{sub 3}CH{sub 2}CHOO are identified in the CH stretch overtone region, which are detected by ultraviolet laser-induced fluorescence of the resultant OH products. The features observed are attributed to CH vibrational excitations and conformational forms utilizing insights from theory. Both experiment and theory yield unimolecular decay rates for CH{sub 3}CH{sub 2}CHOO of ca. 10{sup 7} s{sup −1}, which are slower than those obtained for syn-CH{sub 3}CHOO or (CH{sub 3}){sub 2}COO reported previously [Fang et al., J. Chem. Phys. 144, 061102 (2016)] at similar energies. Master equation modeling is also utilized to predict the thermal decay rate of CH{sub 3}CH{sub 2}CHOO under atmospheric conditions, giving a rate of 279 s{sup −1} at 298 K.

The Conference Proceedings of the 1998 Air Transport Research Group (ATRG) of the WCTR Society. Volume 4

Science.gov (United States)

Bowen, Brent D. (Editor); Oum, Tae Hoon (Editor)

1998-01-01

The Air Transport Research Group of the WCTR Society was formally launched as a special interest group at the 7h Triennial WCTR in Sydney, Australia in 1995. Since then, our membership base has expanded rapidly, and now includes over 400 active transportation researchers, policy-makers, industry executives, major corporations and research institutes from 28 countries. It became a tradition that the ATRG would hold an international conference at least once a year. In 1998, the ATRG organized a consecutive stream of 14 aviation sessions at the 8th Triennial WCTR Conference (July 12-17: Antwerp). Again, on 19-21 July, 1998, the ATRG Symposium was organized and executed every successfully by Dr. Aisling Reynolds-Feighan of the University College of Dublin. The Aviation Institute at the University of Nebraska at Omaha has published the Proceedings of the 1998 ATRG Dublin Symposium (being co-edited by Dr. Aisling Reynolds-Feighan and Professor Brent Bowen), and the Proceedings of the 1998 WCTR- ATRG Conference (being co-edited by Professors Tae H. Oum and Brent Bowen).

Hodnocení elektrochemických charakteristik tvářených hořčíkových slitin typu Mg-Al-Zn

OpenAIRE

Slouková, Karolína

2016-01-01

Cílem této diplomové práce je zhodnotit elektrochemické charakteristiky slitin hořčíku. Teoretická část se zabývá popisem vlastností hořčíku i jeho slitin a také jejich korozních charakteristik. V experimentální části jsou interpretovány výsledky měření korozní odolnosti dvou tvářených hořčíkových slitin. Jednalo se o slitiny AZ31 a AZ61, které byly podrobeny měření v Hankových roztocích s přídavkem iontů Ca2+ a Mg2+ (SBF+) a bez jejich přídavku (SBF). Teplota roztoku během měření byla zvolen...

Regulace produkce obohacené biomasy a lipidických látek u karotenogenních kvasinek

OpenAIRE

Hároniková, Andrea

2008-01-01

Karotenoidy predstavujú jednu z najrozšírenejších a najpočetnejších tried prirodzených pigmentov s významnými biologickými účinkami. V posledných rokoch sa intenzívne študuje mikrobiologická produkcia karotenoidov pred syntetickou výrobou. Táto práca bola poňatá ako zrovnávacia štúdia troch druhov kvasiniek, a to Rhodotorula glutinis, Rhodotorula rubra a Sporobolomyces roseus. Kvasinky boli kultivované na rôznych živných médiách, kde sa ako nutričné zdroje používali vybrané odpadové materiály...

Environmental and vegetation controls on the spatial variability of CH4 emission from wet-sedge and tussock tundra ecosystems in the Arctic.

Science.gov (United States)

McEwing, Katherine Rose; Fisher, James Paul; Zona, Donatella

Despite multiple studies investigating the environmental controls on CH 4 fluxes from arctic tundra ecosystems, the high spatial variability of CH 4 emissions is not fully understood. This makes the upscaling of CH 4 fluxes from plot to regional scale, particularly challenging. The goal of this study is to refine our knowledge of the spatial variability and controls on CH 4 emission from tundra ecosystems. CH 4 fluxes were measured in four sites across a variety of wet-sedge and tussock tundra ecosystems in Alaska using chambers and a Los Gatos CO 2 and CH 4 gas analyser. All sites were found to be sources of CH 4 , with northern sites (in Barrow) showing similar CH 4 emission rates to the southernmost site (ca. 300 km south, Ivotuk). Gross primary productivity (GPP), water level and soil temperature were the most important environmental controls on CH 4 emission. Greater vascular plant cover was linked with higher CH 4 emission, but this increased emission with increased vascular plant cover was much higher (86 %) in the drier sites, than the wettest sites (30 %), suggesting that transport and/or substrate availability were crucial limiting factors for CH 4 emission in these tundra ecosystems. Overall, this study provides an increased understanding of the fine scale spatial controls on CH 4 flux, in particular the key role that plant cover and GPP play in enhancing CH 4 emissions from tundra soils.

Testing fast photochemical theory during TRACE-P based on measurements of OH, HO2, and CH2O

Science.gov (United States)

Olson, Jennifer R.; Crawford, J. H.; Chen, G.; Fried, A.; Evans, M. J.; Jordan, C. E.; Sandholm, S. T.; Davis, D. D.; Anderson, B. E.; Avery, M. A.; Barrick, J. D.; Blake, D. R.; Brune, W. H.; Eisele, F. L.; Flocke, F.; Harder, H.; Jacob, D. J.; Kondo, Y.; Lefer, B. L.; Martinez, M.; Mauldin, R. L.; Sachse, G. W.; Shetter, R. E.; Singh, H. B.; Talbot, R. W.; Tan, D.

2004-08-01

Measurements of several short-lived photochemical species (e.g., OH, HO2, and CH2O) were obtained from the DC-8 and P3-B aircraft during the NASA Transport and Chemical Evolution over the Pacific (TRACE-P) campaign. To assess fast photochemical theory over the east Asian coast and western Pacific, these measurements are compared to predictions using a photochemical time-dependent box model constrained by coincident measurements of long-lived tracers and physical parameters. Both OH and HO2 are generally overpredicted by the model throughout the troposphere, which is a different result from previous field campaigns. The calculated-to-observed ratio of OH shows an altitude trend, with OH overpredicted by 80% in the upper troposphere and by 40-60% in the middle troposphere. Boundary layer and lower tropospheric OH ratios decrease from middle tropospheric values to 1.07 for the DC-8 and to 0.70 for the P3-B. HO2 measured on the DC-8 is overpredicted by a median of 23% and shows no trend in the agreement with altitude. Three subsets of data which compose 12% of the HO2 measurements represent outliers with respect to calculated-to-observed ratios: stratospherically influenced air, upper tropospheric data with NO > 135 pptv, and data from within clouds. Pronounced underpredictions of both HO2 and OH were found for stratospherically influenced air, which is in contrast to previous studies showing good agreement of predicted and observed HOx in the stratosphere. Observational evidence of heterogeneous uptake of HO2 within low and middle tropospheric clouds is presented, though there is no indication of significant HO2 uptake within higher-altitude clouds. Model predictions of CH2O are in good agreement with observations in the median for background concentrations, but a large scatter exists. Factors contributing to this scatter are examined, including the limited availability of some important constraining measurements, particularly CH3OOH. Some high concentrations of CH2O

CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

KAUST Repository

Maculan, Giacomo; Sheikh, Arif D.; Abdelhady, Ahmed L.; Saidaminov, Makhsud I.; Haque, Mohammed; Banavoth, Murali; Alarousu, Erkki; Mohammed, Omar F.; Wu, Tao; Bakr, Osman

2015-01-01

a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal

Thermochemistry and kinetics for 2-butanone-1-yl radical (CH2·C(═O)CH2CH3) reactions with O2.

Science.gov (United States)

Sebbar, N; Bozzelli, J W; Bockhorn, H

2014-01-09

Thermochemistry of reactants, intermediates, transition state structures, and products along with kinetics on the association of CH2·C(═O)CH2CH3 (2-butanone-1-yl) with O2 and dissociation of the peroxy adduct isomers are studied. Thermochemical properties are determined using ab initio (G3MP2B3 and G3) composite methods along with density functional theory (B3LYP/6-311g(d,p)). Entropy and heat capacity contributions versus temperature are determined from structures, vibration frequencies, and internal rotor potentials. The CH2·C(═O)CH2CH3 radical + O2 association results in a chemically activated peroxy radical with 27 kcal mol(-1) excess of energy. The chemically activated adduct can react to stabilized peroxy or hydroperoxide alkyl radical adducts, further react to lactones plus hydroxyl radical, or form olefinic ketones and a hydroperoxy radical. Kinetic parameters are determined from the G3 composite methods derived thermochemical parameters, and quantum Rice-Ramsperger-Kassel (QRRK) analysis to calculate k(E) with master equation analysis to evaluate falloff in the chemically activated and dissociation reactions. One new, not previously reported, peroxy chemistry reaction is presented. It has a low barrier path and involves a concerted reaction resulting in olefin formation, H2O elimination, and an alkoxy radical.

Chloroacetone photodissociation at 193 nm and the subsequent dynamics of the CH3C(O)CH2 radical—an intermediate formed in the OH + allene reaction en route to CH3 + ketene

Science.gov (United States)

Alligood, Bridget W.; FitzPatrick, Benjamin L.; Szpunar, David E.; Butler, Laurie J.

2011-02-01

We use a combination of crossed laser-molecular beam experiments and velocity map imaging experiments to investigate the primary photofission channels of chloroacetone at 193 nm; we also probe the dissociation dynamics of the nascent CH3C(O)CH2 radicals formed from C-Cl bond fission. In addition to the C-Cl bond fission primary photodissociation channel, the data evidence another photodissociation channel of the precursor, C-C bond fission to produce CH3CO and CH2Cl. The CH3C(O)CH2 radical formed from C-Cl bond fission is one of the intermediates in the OH + allene reaction en route to CH3 + ketene. The 193 nm photodissociation laser allows us to produce these CH3C(O)CH2 radicals with enough internal energy to span the dissociation barrier leading to the CH3 + ketene asymptote. Therefore, some of the vibrationally excited CH3C(O)CH2 radicals undergo subsequent dissociation to CH3 + ketene products; we are able to measure the velocities of these products using both the imaging and scattering apparatuses. The results rule out the presence of a significant contribution from a C-C bond photofission channel that produces CH3 and COCH2Cl fragments. The CH3C(O)CH2 radicals are formed with a considerable amount of energy partitioned into rotation; we use an impulsive model to explicitly characterize the internal energy distribution. The data are better fit by using the C-Cl bond fission transition state on the S1 surface of chloroacetone as the geometry at which the impulsive force acts, not the Franck-Condon geometry. Our data suggest that, even under atmospheric conditions, the reaction of OH with allene could produce a small branching to CH3 + ketene products, rather than solely producing inelastically stabilized adducts. This additional channel offers a different pathway for the OH-initiated oxidation of such unsaturated volatile organic compounds, those containing a C=C=C moiety, than is currently included in atmospheric models.

Altered Baseline and Nicotine-Mediated Behavioral and Cholinergic Profiles in ChAT-Cre Mouse Lines.

Science.gov (United States)

Chen, Edison; Lallai, Valeria; Sherafat, Yasmine; Grimes, Nickolas P; Pushkin, Anna N; Fowler, J P; Fowler, Christie D

2018-02-28

The recent development of transgenic rodent lines expressing cre recombinase in a cell-specific manner, along with advances in engineered viral vectors, has permitted in-depth investigations into circuit function. However, emerging evidence has begun to suggest that genetic modifications may introduce unexpected caveats. In the current studies, we sought to extensively characterize male and female mice from both the ChAT (BAC) -Cre mouse line, created with the bacterial artificial chromosome (BAC) method, and ChAT (IRES) -Cre mouse line, generated with the internal ribosome entry site (IRES) method. ChAT (BAC) -Cre transgenic and wild-type mice did not differ in general locomotor behavior, anxiety measures, drug-induced cataplexy, nicotine-mediated hypolocomotion, or operant food training. However, ChAT (BAC) -Cre transgenic mice did exhibit significant deficits in intravenous nicotine self-administration, which paralleled an increase in vesicular acetylcholine transporter and choline acetyltransferase (ChAT) hippocampal expression. For the ChAT (IRES) -Cre line, transgenic mice exhibited deficits in baseline locomotor, nicotine-mediated hypolocomotion, and operant food training compared with wild-type and hemizygous littermates. No differences among ChAT (IRES) -Cre wild-type, hemizygous, and transgenic littermates were found in anxiety measures, drug-induced cataplexy, and nicotine self-administration. Given that increased cre expression was present in the ChAT (IRES) -Cre transgenic mice, as well as a decrease in ChAT expression in the hippocampus, altered neuronal function may underlie behavioral phenotypes. In contrast, ChAT (IRES) -Cre hemizygous mice were more similar to wild-type mice in both protein expression and the majority of behavioral assessments. As such, interpretation of data derived from ChAT-Cre rodents must consider potential limitations dependent on the line and/or genotype used in research investigations. SIGNIFICANCE STATEMENT Altered

Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem.

Science.gov (United States)

Zhao, Zhiqiang; Chen, Jun; Zhang, Zhaojun; Zhang, Dong H; Wang, Xiao-Gang; Carrington, Tucker; Gatti, Fabien

2018-02-21

Quantum mechanical calculations of ro-vibrational energies of CH 4 , CHD 3 , CH 3 D, and CH 3 F were made with two different numerical approaches. Both use polyspherical coordinates. The computed energy levels agree, confirming the accuracy of the methods. In the first approach, for all the molecules, the coordinates are defined using three Radau vectors for the CH 3 subsystem and a Jacobi vector between the remaining atom and the centre of mass of CH 3 . Euler angles specifying the orientation of a frame attached to CH 3 with respect to a frame attached to the Jacobi vector are used as vibrational coordinates. A direct product potential-optimized discrete variable vibrational basis is used to build a Hamiltonian matrix. Ro-vibrational energies are computed using a re-started Arnoldi eigensolver. In the second approach, the coordinates are the spherical coordinates associated with four Radau vectors or three Radau vectors and a Jacobi vector, and the frame is an Eckart frame. Vibrational basis functions are products of contracted stretch and bend functions, and eigenvalues are computed with the Lanczos algorithm. For CH 4 , CHD 3 , and CH 3 D, we report the first J > 0 energy levels computed on the Wang-Carrington potential energy surface [X.-G. Wang and T. Carrington, J. Chem. Phys. 141(15), 154106 (2014)]. For CH 3 F, the potential energy surface of Zhao et al. [J. Chem. Phys. 144, 204302 (2016)] was used. All the results are in good agreement with experimental data.

Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem

Science.gov (United States)

Zhao, Zhiqiang; Chen, Jun; Zhang, Zhaojun; Zhang, Dong H.; Wang, Xiao-Gang; Carrington, Tucker; Gatti, Fabien

2018-02-01

Quantum mechanical calculations of ro-vibrational energies of CH4, CHD3, CH3D, and CH3F were made with two different numerical approaches. Both use polyspherical coordinates. The computed energy levels agree, confirming the accuracy of the methods. In the first approach, for all the molecules, the coordinates are defined using three Radau vectors for the CH3 subsystem and a Jacobi vector between the remaining atom and the centre of mass of CH3. Euler angles specifying the orientation of a frame attached to CH3 with respect to a frame attached to the Jacobi vector are used as vibrational coordinates. A direct product potential-optimized discrete variable vibrational basis is used to build a Hamiltonian matrix. Ro-vibrational energies are computed using a re-started Arnoldi eigensolver. In the second approach, the coordinates are the spherical coordinates associated with four Radau vectors or three Radau vectors and a Jacobi vector, and the frame is an Eckart frame. Vibrational basis functions are products of contracted stretch and bend functions, and eigenvalues are computed with the Lanczos algorithm. For CH4, CHD3, and CH3D, we report the first J > 0 energy levels computed on the Wang-Carrington potential energy surface [X.-G. Wang and T. Carrington, J. Chem. Phys. 141(15), 154106 (2014)]. For CH3F, the potential energy surface of Zhao et al. [J. Chem. Phys. 144, 204302 (2016)] was used. All the results are in good agreement with experimental data.

Stanovení platinových kovů ve velkých městských aglomeracích

OpenAIRE

Ježek, Stanislav

2016-01-01

Cílem této diplomové práce je vypracování aktuální literární rešerše, týkající se problematiky platinových kovů v životním prostředí, stanovení platiny a palladia na území městské částí Brno a Moskva. Zahrnuje chemické a fyzikální vlastnosti, výskyt a koloběh platinových v životním prostředí. Obsahuje také použité metody extrakce a stanovení platiny a palladia. The aim of this thesis is the actual elaboration literature search concerning the issue of platinum group metals in the environmen...

Special issue : transport in a post-carbon society

Science.gov (United States)

2009-04-01

This special issue of World Transport Policy & Practice is an outcome of the conference Planning for the Carbon Neutral World: Challenges for Cities and Regions, held 15-18 May 2008 in Salzburg, Austria. The conference, organised by SCUPAD Salzbu...

Mild Palladium Catalyzed ortho C-H Bond Functionalizations of Aniline Derivatives.

Science.gov (United States)

Tischler, Ms Orsolya; Tóth, Mr Balázs; Novák, Zoltán

2017-02-01

This account collects the developments and transformations which avoid the utilization of harsh reaction conditions in the field of palladium catalyzed, ortho-directed C-H activation of aniline derivatives from the first attempts to up-to-date results, including the results of our research laboratory. The discussed functionalizations performed under mild conditions include acylation, olefination, arylation, alkylation, alkoxylation reactions. Beside the optimization studies and the synthetic applications mechanistic investigations are also presented. © 2017 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of the potential of near-ground measurements of CO2 and CH4 in London, UK, for the monitoring of city-scale emissions using an atmospheric transport model

Science.gov (United States)

Boon, Alex; Broquet, Grégoire; Clifford, Deborah J.; Chevallier, Frédéric; Butterfield, David M.; Pison, Isabelle; Ramonet, Michel; Paris, Jean-Daniel; Ciais, Philippe

2016-06-01

Carbon dioxide (CO2) and methane (CH4) mole fractions were measured at four near-ground sites located in and around London during the summer of 2012 with a view to investigating the potential of assimilating such measurements in an atmospheric inversion system for the monitoring of the CO2 and CH4 emissions in the London area. These data were analysed and compared with simulations using a modelling framework suited to building an inversion system: a 2 km horizontal resolution south of England configuration of the transport model CHIMERE driven by European Centre for Medium-Range Weather Forecasts (ECMWF) meteorological forcing, coupled to a 1 km horizontal resolution emission inventory (the UK National Atmospheric Emission Inventory). First comparisons reveal that local sources, which cannot be represented in the model at a 2 km resolution, have a large impact on measurements. We evaluate methods to filter out the impact of some of the other critical sources of discrepancies between the measurements and the model simulation except that of the errors in the emission inventory, which we attempt to isolate. Such a separation of the impact of errors in the emission inventory should make it easier to identify the corrections that should be applied to the inventory. Analysis is supported by observations from meteorological sites around the city and a 3-week period of atmospheric mixing layer height estimations from lidar measurements. The difficulties of modelling the mixing layer depth and thus CO2 and CH4 concentrations during the night, morning and late afternoon lead to focusing on the afternoon period for all further analyses. The discrepancies between observations and model simulations are high for both CO2 and CH4 (i.e. their root mean square (RMS) is between 8 and 12 parts per million (ppm) for CO2 and between 30 and 55 parts per billion (ppb) for CH4 at a given site). By analysing the gradients between the urban sites and a suburban or rural reference site, we

ChIP-PIT: Enhancing the Analysis of ChIP-Seq Data Using Convex-Relaxed Pair-Wise Interaction Tensor Decomposition.

Science.gov (United States)

Zhu, Lin; Guo, Wei-Li; Deng, Su-Ping; Huang, De-Shuang

2016-01-01

In recent years, thanks to the efforts of individual scientists and research consortiums, a huge amount of chromatin immunoprecipitation followed by high-throughput sequencing (ChIP-seq) experimental data have been accumulated. Instead of investigating them independently, several recent studies have convincingly demonstrated that a wealth of scientific insights can be gained by integrative analysis of these ChIP-seq data. However, when used for the purpose of integrative analysis, a serious drawback of current ChIP-seq technique is that it is still expensive and time-consuming to generate ChIP-seq datasets of high standard. Most researchers are therefore unable to obtain complete ChIP-seq data for several TFs in a wide variety of cell lines, which considerably limits the understanding of transcriptional regulation pattern. In this paper, we propose a novel method called ChIP-PIT to overcome the aforementioned limitation. In ChIP-PIT, ChIP-seq data corresponding to a diverse collection of cell types, TFs and genes are fused together using the three-mode pair-wise interaction tensor (PIT) model, and the prediction of unperformed ChIP-seq experimental results is formulated as a tensor completion problem. Computationally, we propose efficient first-order method based on extensions of coordinate descent method to learn the optimal solution of ChIP-PIT, which makes it particularly suitable for the analysis of massive scale ChIP-seq data. Experimental evaluation the ENCODE data illustrate the usefulness of the proposed model.

Visible absorption spectrum of the CH3CO radical.

Science.gov (United States)

Rajakumar, B; Flad, Jonathan E; Gierczak, Tomasz; Ravishankara, A R; Burkholder, James B

2007-09-20

The visible absorption spectrum of the acetyl radical, CH(3)CO, was measured between 490 and 660 nm at 298 K using cavity ring-down spectroscopy. Gas-phase CH(3)CO radicals were produced using several methods including: (1) 248 nm pulsed laser photolysis of acetone (CH(3)C(O)CH(3)), methyl ethyl ketone (MEK, CH(3)C(O)CH(2)CH(3)), and biacetyl (CH(3)C(O)C(O)CH(3)), (2) Cl + CH(3)C(O)H --> CH(3)C(O) + HCl with Cl atoms produced via pulsed laser photolysis or in a discharge flow tube, and (3) OH + CH(3)C(O)H --> CH(3)CO + H(2)O with two different pulsed laser photolysis sources of OH radicals. The CH(3)CO absorption spectrum was assigned on the basis of the consistency of the spectra obtained from the different CH(3)CO sources and agreement of the measured rate coefficients for the reaction of the absorbing species with O(2) and O(3) with literature values for the CH(3)CO + O(2) + M and CH(3)CO + O(3) reactions. The CH(3)CO absorption spectrum between 490 and 660 nm has a broad peak centered near 535 nm and shows no discernible structure. The absorption cross section of CH(3)CO at 532 nm was measured to be (1.1 +/- 0.2) x 10(-19) cm(2) molecule(-1) (base e).

Contrast between the mechanisms for dissociative electron attachment to CH3SCN and CH3NCS

Science.gov (United States)

Miller, Thomas M.; Viggiano, Albert A.; Shuman, Nicholas S.

2018-05-01

The kinetics of thermal electron attachment to methyl thiocyanate (CH3SCN), methyl isothiocyanate (CH3NCS), and ethyl thiocyanate (C2H5SCN) were measured using flowing afterglow-Langmuir probe apparatuses at temperatures between 300 and 1000 K. CH3SCN and C2H5SCN undergo inefficient dissociative attachment to yield primarily SCN- at 300 K (k = 2 × 10-10 cm3 s-1), with increasing efficiency as temperature increases. The increase is well described by activation energies of 0.17 eV (CH3SCN) and 0.14 eV (C2H5SCN). CN- product is formed at product but at a rate at 300 K that is below our detection threshold (k differentiating the two mechanisms. The kinetic modeling reproduces the CH3NCS data only if dissociation through the transient anion is considered.

Interfacial electronic structures revealed at the rubrene/CH3NH3PbI3 interface.

Science.gov (United States)

Ji, Gengwu; Zheng, Guanhaojie; Zhao, Bin; Song, Fei; Zhang, Xiaonan; Shen, Kongchao; Yang, Yingguo; Xiong, Yimin; Gao, Xingyu; Cao, Liang; Qi, Dong-Chen

2017-03-01

The electronic structures of rubrene films deposited on CH 3 NH 3 PbI 3 perovskite have been investigated using in situ ultraviolet photoelectron spectroscopy (UPS) and X-ray photoelectron spectroscopy (XPS). It was found that rubrene molecules interacted weakly with the perovskite substrate. Due to charge redistribution at their interface, a downward 'band bending'-like energy shift of ∼0.3 eV and an upward band bending of ∼0.1 eV were identified at the upper rubrene side and the CH 3 NH 3 PbI 3 substrate side, respectively. After the energy level alignment was established at the rubrene/CH 3 NH 3 PbI 3 interface, its highest occupied molecular orbital (HOMO)-valence band maximum (VBM) offset was found to be as low as ∼0.1 eV favoring the hole extraction with its lowest unoccupied molecular orbital (LUMO)-conduction band minimum (CBM) offset as large as ∼1.4 eV effectively blocking the undesired electron transfer from perovskite to rubrene. As a demonstration, simple inverted planar solar cell devices incorporating rubrene and rubrene/poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) hole transport layers (HTLs) were fabricated in this work and yielded a champion power conversion efficiency of 8.76% and 13.52%, respectively. Thus, the present work suggests that a rubrene thin film could serve as a promising hole transport layer for efficient perovskite-based solar cells.

City - society - environment - traffic and transport. Pt. 1. FOVUS - university research into traffic and transport; Stadt - Gesellschaft - Umwelt - Verkehr. T. 1. FOVUS - die Universitaet stellt sich der Zukunftsaufgabe Verkehr

Energy Technology Data Exchange (ETDEWEB)

Bargende, M. [Stuttgart Univ. (Germany). Inst. fuer Verbrennungsmotoren und Kraftfahrwesen; Baumbach, G. [Stuttgart Univ. (Germany). Inst. fuer Verfahrenstechnik und Dampfkesselwesen; Dobeschinsky, H. [Stuttgart Univ. (Germany). Forschungsschwerpunkt Verkehr; Englmann, F.C. [Stuttgart Univ. (Germany). Abt. Volkswirtschaftslehre; Heimerl, G.; Treuner, P.; Umbach, U.; Vogt, W.; Wacker, M. [Stuttgart Univ. (Germany). Inst. fuer Eisenbahn- und Verkehrswesen; Jessen, J.; Pesch, F.; Ribbeck, E. [Stuttgart Univ. (Germany). Staedtebauliches Inst.; Kaule, G. [Stuttgart Univ. (Germany). Inst. fuer Landschaftsplanung und Oekologie; Kuehne, R. [Stuttgart Univ. (Germany). Inst. fuer Strassen- und Verkehrswesen; Lenz, B. [Stuttgart Univ. (Germany). Geographisches Inst.

1999-09-01

Taking environmental harm out of mobility is one of the great challenges in society today. The following issues are examples of the problems and conflicts we are facing as individuals and as society: continuing motorisation for mobility, greater difficulty to reach central facilities, workplaces and shopping facilities all of which negatively affect people and economy, increasing awareness of environmental problems, increased environmental awareness, high quality expectations in traffic and transport.(orig.) [German] Die umweltvertraegliche Gestaltung der Mobilitaet ist eine der grossen Herausforderungen unserer Gesellschaft: Weiter steigende motorisierte Mobilitaet, verminderte Erreichbarkeit von zentralen Einrichtungen, von Arbeitsplaetzen und Einkaufsstaetten verbunden mit der Gefahr negativer struktureller Wirkungen fuer Bewohner und Wirtschaft, Verlust an Lebensqualitaet in den Staedten als Folge des Verkehrs, wachsende Erkenntnisse ueber Umweltprobleme und gestiegenes Umweltbewusstsein, hoher Anspruch an Qualitaetsstandards im Verkehr als Grundlage wirtschaftlichen und individuellen Handelns - diese Stichworte kennzeichnen beispielhaft die vielfaeltigen Zielkonflikte und Probleme. (orig.)

Estery vybraných mastných kyselin a biologicky aktivních alkoholů jako možné hormonogenní látky při regulaci hmyzích škůdců

Czech Academy of Sciences Publication Activity Database

Jurček, O.; Moravcová, J.; Wimmer, Zdeněk

2006-01-01

Roč. 100, č. 5 (2006), s. 387-388 ISSN 0009-2770. [Mezioborové setkání mladých vědeckých a výzkumných pracovníků z oboru chemie, biochemie, molekulární biologie a oborů příbuzných. Konference Sigma-Aldrich /6./. 14.06.2006-17.06.2006, Devět skal] R&D Projects: GA MŠk(CZ) OC D29.001 Institutional research plan: CEZ:AV0Z40550506 Keywords : esters * hormonogen substances Subject RIV: CC - Organic Chemistry

Animal Transports

Directory of Open Access Journals (Sweden)

Diana Ludrovcová

2016-08-01

Full Text Available Purpose and Originality: The research is aimed to the animal transports issue, from two points of view – first is the animal cruelty and second is the policy and economic consideration. The goal is to acquaint the readers with the transports risks and its cruelty and evaluation of the economic, political aspects for he involved countries. The study is oriented on more points of view, what is rare in works with a similar theme. Method: This paper examines many issues and examinations from different authors and subsequently summarized the findings with authors own knowledge to one expanded unit. Results: Results proves, that livestock transports have negative impact on animal´s health, environment. Number of transported animals is rising every year. Society: Research familiarize the society with the animal transports, cruelty against animals during them, and influence of transports on some countries, their economy, policy. People get better informed and can form their own opinion on this topic. They may start acting, undertaking some steps to improve the present situation, what could help a lot to animals and environment. Limitations / further research: Future research could show progress and improvement of transports, quality of food supply and economics.

THE J = 1-0 TRANSITIONS OF 12CH+, 13CH+, AND 12CD+

International Nuclear Information System (INIS)

Amano, T.

2010-01-01

A new set of laboratory experimental frequencies for the J = 1-0 rotational transition of 12 CH + , 13 CH + , and 12 CD + are obtained by using a liquid nitrogen cooled extended negative glow discharge in a gas mixture of CH 4 and He. These frequencies are found to be significantly different from those reported previously. The unexpectedly large Zeeman effect and the spin-rotation hyperfine interaction for a 1 Σ molecule are observed. The Zeeman effect and the hyperfine interaction appear to be distinctively different for each isotopic species. Theoretical considerations reveal the isotopic dependence of the magnitudes of these effects, and they also provide strong evidence for the identifications.

General working principles of CH3NH3PbX3 perovskite solar cells.

Science.gov (United States)

Gonzalez-Pedro, Victoria; Juarez-Perez, Emilio J; Arsyad, Waode-Sukmawati; Barea, Eva M; Fabregat-Santiago, Francisco; Mora-Sero, Ivan; Bisquert, Juan

2014-02-12

Organometal halide perovskite-based solar cells have recently realized large conversion efficiency over 15% showing great promise for a new large scale cost-competitive photovoltaic technology. Using impedance spectroscopy measurements we are able to separate the physical parameters of carrier transport and recombination in working devices of the two principal morphologies and compositions of perovskite solar cells, viz. compact thin films of CH3NH3PbI(3-x)Clx and CH3NH3PbI3 infiltrated on nanostructured TiO2. The results show nearly identical spectral characteristics indicating a unique photovoltaic operating mechanism that provides long diffusion lengths (1 μm). Carrier conductivity in both devices is closely matched, so that the most significant differences in performance are attributed to recombination rates. These results highlight the central role of the CH3NH3PbX3 semiconductor absorber in carrier collection and provide a new tool for improved optimization of perovskite solar cells. We report for the first time a measurement of the diffusion length in a nanostructured perovskite solar cell.

Methane Provenance Determined by CH2D2 and 13CH3D Abundances

Science.gov (United States)

Kohl, I. E.; Giunta, T.; Warr, O.; Ash, J. L.; Ruffine, L.; Sherwood Lollar, B.; Young, E. D.

2017-12-01

Determining the provenance of naturally occurring methane gases is of major interest to energy companies and atmospheric climate modelers, among others. Bulk isotopic compositions and other geochemical tracers sometimes fail to provide definitive determinations of sources of methane due to complications from mixing and complicated chemical pathways of origin. Recent measurements of doubly-substituted isotopologues of methane, CH2D2 (UCLA) and 13CH3D (UCLA, CalTech, and MIT) have allowed for major improvements in sourcing natural methane gases. Early work has focused on formation temperatures obtained when the relative abundances of both doubly-substituted mass-18 species are consistent with internal equilibrium. When methane gases do not plot on the thermodynamic equilibrium curve in D12CH2D2 vs D13CH3D space, temperatures determined from D13CH3D values alone are usually spurious, even when appearing reasonable. We find that the equilibrium case is actually rare and almost exclusive to thermogenic gases produced at temperatures exceeding 100°C. All other relevant methane production processes appear to generate gases that are not in isotopologue-temperature equilibrium. When gases show departures from equilibrium as determined by the relationship between CH2D2 and 13CH3D abundances, data fall within empirically defined fields representing formation pathways. These fields are thus far consistent between different geological settings and and between lab experiments and natural samples. We have now defined fields for thermogenic gas production, microbial methanogenesis, low temperature abiotic (Sabatier) synthesis and higher temperature FTT synthesis. The majority of our natural methane data can be explained by mixing between end members originating within these production fields. Mixing can appear complex, resulting in both hyper-clumped and anti-clumped isotopologue abundances. In systems where mixtures dominate and end-members are difficult to sample, mixing models

Intercontinental transport of biomass burning pollutants over the Mediterranean Basin during the summer 2014 ChArMEx-GLAM airborne campaign

Science.gov (United States)

Brocchi, Vanessa; Krysztofiak, Gisèle; Catoire, Valéry; Guth, Jonathan; Marécal, Virginie; Zbinden, Régina; El Amraoui, Laaziz; Dulac, François; Ricaud, Philippe

2018-05-01

The Gradient in Longitude of Atmospheric constituents above the Mediterranean basin (GLAM) campaign was set up in August 2014, as part of the Chemistry and Aerosol Mediterranean Experiment (ChArMEx) project. This campaign aimed to study the chemical variability of gaseous pollutants and aerosols in the troposphere along a west-east transect above the Mediterranean Basin (MB). In the present work, we focus on two biomass burning events detected at 5.4 and 9.7 km altitude above sea level (a.s.l.) over Sardinia (from 39°12' N-9°15' E to 35°35' N-12°35' E and at 39°30' N-8°25' E, respectively). Concentration variations in trace gas carbon monoxide (CO), ozone (O3) and aerosols were measured thanks to the standard instruments on board the Falcon 20 aircraft operated by the Service des Avions Français Instrumentés pour la Recherche en Environnement (SAFIRE) and the Spectromètre InfraRouge In situ Toute Altitude (SPIRIT) developed by LPC2E. Twenty-day backward trajectories with Lagrangian particle dispersion model FLEXPART (FLEXible PARTicle) help to understand the transport processes and the origin of the emissions that contributed to this pollution detected above Sardinia. Biomass burning emissions came (i) on 10 August from the North American continent with air masses transported during 5 days before arriving over the MB, and (ii) on 6 August from Siberia, with air masses travelling during 12 days and enriched in fire emission products above Canada 5 days before arriving over the MB. In combination with the Global Fire Assimilation System (GFAS) inventory and the Moderate Resolution Imaging Spectroradiometer (MODIS) satellite fire locations, FLEXPART reproduces well the contribution of those fires to CO and aerosols enhancements under adjustments of the injection height to 10 km in both cases and application of an amplification factor of 2 on CO GFAS emissions for the 10 August event. The chemistry transport model (CTM) MOCAGE is used as a complementary tool

Diagnostika bariérových vlastností tenkých vrstev

OpenAIRE

Horák, Jakub

2012-01-01

Tato bakalářská práce je zaměřena na charakterizaci vlastností tenkých SiOx vrstev připravených metodou plazmochemické depozice z plynné fáze (PECVD). Vrstvy byly charakterizovány s ohledem na budoucí možné použití pro ochranu muzejních archiválií proti korozi. Jako výchozí látka pro depozici byl použit kapalný hexamethyldisiloxan a testovacím substrátem pro charakterizaci vlastností vrstev byly polypropylénové fólie a křemíkové substráty. Pro korozní zkoušky pak byly zvoleny kovové plechy. P...

Scientific Computing in the CH Programming Language

Directory of Open Access Journals (Sweden)

Harry H. Cheng

1993-01-01

Full Text Available We have developed a general-purpose block-structured interpretive programming Ianguage. The syntax and semantics of this language called CH are similar to C. CH retains most features of C from the scientific computing point of view. In this paper, the extension of C to CH for numerical computation of real numbers will be described. Metanumbers of −0.0, 0.0, Inf, −Inf, and NaN are introduced in CH. Through these metanumbers, the power of the IEEE 754 arithmetic standard is easily available to the programmer. These metanumbers are extended to commonly used mathematical functions in the spirit of the IEEE 754 standard and ANSI C. The definitions for manipulation of these metanumbers in I/O; arithmetic, relational, and logic operations; and built-in polymorphic mathematical functions are defined. The capabilities of bitwise, assignment, address and indirection, increment and decrement, as well as type conversion operations in ANSI C are extended in CH. In this paper, mainly new linguistic features of CH in comparison to C will be described. Example programs programmed in CH with metanumbers and polymorphic mathematical functions will demonstrate capabilities of CH in scientific computing.

A three-dimensional model of the atmospheric chemistry of E and Z-CF3CH=CHCl (HCFO-1233(zd) (E/Z))

Science.gov (United States)

Sulbaek Andersen, Mads P.; Schmidt, Johan A.; Volkova, Aleksandra; Wuebbles, Donald J.

2018-04-01

Using a 3-dimensional global atmospheric chemistry and transport model we investigated the atmospheric degradation of HCFO-1233zd(E), E-CF3CH=CHCl, a commercially important, new hydrofluorocarbon replacement compound. Atmospheric degradation of E-CF3CH=CHCl is initiated by reaction with OH radicals, which leads to several chemical oxidation products. Dissemination of these oxidation products to the environment is of concern due to the possible formation of trifluoroacetic acid (TFA) as a degradation product. The model indicates that the average global yield of TFA from atmospheric processing of E-CF3CH=CHCl is approximately 2%. The annually averaged atmospheric lifetime of E-CF3CH=CHCl was found to be approximately 36 days (12 days for Z-CF3CH=CHCl). As E-CF3CH=CHCl is short lived, by far the majority of its Cl atoms will be released and deposited in the lower atmosphere, and the impact on stratospheric ozone is insignificant. An Ozone Depletion Potential of 0.00030 was determined. The Photochemical Ozone Creation Potential was evaluated and a value of 3.6 determined. Finally, we derive a Global Warming Potential for E-CF3CH=CHCl for a 100 year time horizon of model.

Chromatin immunoprecipitation (ChIP) of plant transcription factors followed by sequencing (ChIP-SEQ) or hybridization to whole genome arrays (ChIP-CHIP)

NARCIS (Netherlands)

Kaufmann, K.; Muiño, J.M.; Østerås, M.; Farinelli, L.; Krajewski, P.; Angenent, G.C.

2010-01-01

Chromatin immunoprecipitation (ChIP) is a powerful technique to study interactions between transcription factors (TFs) and DNA in vivo. For genome-wide de novo discovery of TF-binding sites, the DNA that is obtained in ChIP experiments needs to be processed for sequence identification. The sequences

Correlations among atmospheric CO[sub 2], CH[sub 4] and CO in the Arctic, March 1989

Energy Technology Data Exchange (ETDEWEB)

Conway, T.J.; Steele, L.P.; Novelli, P.C. (NOAA Climate Monitoring and Diagnostics Lab., Boulder, CO (United States))

1993-12-01

During six aircraft flights conducted as part of the third Arctic Gas and Aerosol Sampling Program (AGASP III, March 1989), 189 air samples were collected throughout the Arctic troposphere and lower stratosphere for analysis of CO[sub 2], CH[sub 4] and CO. The mixing ratios of the three gases varied significantly both horizontally and vertically. Elevated concentrations were found in layers with high anthropogenic aerosol concentrations (Arctic Haze). The mixing ratios of CO[sub 2], CH[sub 4] and CO were highly correlated on all flights. A linear regression of CH[sub 4] vs CO[sub 2] for pooled data from all flights yielded a correlation coefficient (r[sup 2]) of 0.88 and a slope of 13.5 ppb CH[sub 4]/ppm CO[sub 2] (n 186). For CO vs CO[sub 2] a pooled linear regression gave r[sup 2] 0.91 and a slope of 15.8 ppb CO/ppm CO[sub 2] (n 182). Carbon dioxide CH[sub 4] and CO also exhibited mean vertical gradients with slopes of 0.37, -4.4 and -4.2 ppb km[sup -1], respectively. Since the carbon dioxide variations observed in the Arctic atmosphere during winter are due primarily to variations in the emissions and transport of anthropogenic CO[sub 2] from Europe and Asia, the strong correlations that we have found suggest that a similar interpretation applies to CH[sub 4] and CO. Using reliable estimates of CO[sub 2] emissions for the source regions and the measured CH[sub 4]/CO[sub 2] and CO/CO[sub 2] ratios, we estimate a regional European CH[sub 4] source of 47[+-] 6 Tg CH[sub 4] yr[sup -1] that may be associated with fossil fuel combustion. A similar calculation for CO results in an estimated regional CO source of 82[+-]2 Tg CO yr[sup -1]. 31 refs., 7 figs., 4 tabs.

Aerosol data assimilation in the chemical transport model MOCAGE during the TRAQA/ChArMEx campaign: aerosol optical depth

Science.gov (United States)

Sič, Bojan; El Amraoui, Laaziz; Piacentini, Andrea; Marécal, Virginie; Emili, Emanuele; Cariolle, Daniel; Prather, Michael; Attié, Jean-Luc

2016-11-01

In this study, we describe the development of the aerosol optical depth (AOD) assimilation module in the chemistry transport model (CTM) MOCAGE (Modèle de Chimie Atmosphérique à Grande Echelle). Our goal is to assimilate the spatially averaged 2-D column AOD data from the National Aeronautics and Space Administration (NASA) Moderate-resolution Imaging Spectroradiometer (MODIS) instrument, and to estimate improvements in a 3-D CTM assimilation run compared to a direct model run. Our assimilation system uses 3-D-FGAT (first guess at appropriate time) as an assimilation method and the total 3-D aerosol concentration as a control variable. In order to have an extensive validation dataset, we carried out our experiment in the northern summer of 2012 when the pre-ChArMEx (CHemistry and AeRosol MEditerranean EXperiment) field campaign TRAQA (TRAnsport à longue distance et Qualité de l'Air dans le bassin méditerranéen) took place in the western Mediterranean basin. The assimilated model run is evaluated independently against a range of aerosol properties (2-D and 3-D) measured by in situ instruments (the TRAQA size-resolved balloon and aircraft measurements), the satellite Spinning Enhanced Visible and InfraRed Imager (SEVIRI) instrument and ground-based instruments from the Aerosol Robotic Network (AERONET) network. The evaluation demonstrates that the AOD assimilation greatly improves aerosol representation in the model. For example, the comparison of the direct and the assimilated model run with AERONET data shows that the assimilation increased the correlation (from 0.74 to 0.88), and reduced the bias (from 0.050 to 0.006) and the root mean square error in the AOD (from 0.12 to 0.07). When compared to the 3-D concentration data obtained by the in situ aircraft and balloon measurements, the assimilation consistently improves the model output. The best results as expected occur when the shape of the vertical profile is correctly simulated by the direct model. We

Transient infrared absorption of t-CH3C(O)OO, c-CH3C(O)OO, and α-lactone recorded in gaseous reactions of CH3CO and O2

Science.gov (United States)

Chen, Sun-Yang; Lee, Yuan-Pern

2010-03-01

A step-scan Fourier-transform infrared spectrometer coupled with a multipass absorption cell was utilized to monitor the transient species produced in gaseous reactions of CH3CO and O2; IR absorption spectra of CH3C(O)OO and α-lactone were observed. Absorption bands with origins at 1851±1, 1372±2, 1169±6, and 1102±3 cm-1 are attributed to t-CH3C(O)OO, and those at 1862±3, 1142±4, and 1078±6 cm-1 are assigned to c-CH3C(O)OO. A weak band near 1960 cm-1 is assigned to α-lactone, cyc-CH2C(O)O, a coproduct of OH. These observed rotational contours agree satisfactorily with simulated bands based on predicted rotational parameters and dipole derivatives, and observed vibrational wavenumbers agree with harmonic vibrational wavenumbers predicted with B3LYP/aug-cc-pVDZ density-functional theory. The observed relative intensities indicate that t-CH3C(O)OO is more stable than c-CH3C(O)OO by 3±2 kJ mol-1. Based on these observations, the branching ratio for the OH+α-lactone channel of the CH3CO+O2 reaction is estimated to be 0.04±0.01 under 100 Torr of O2 at 298 K. A simple kinetic model is employed to account for the decay of CH3C(O)OO.

Transient infrared absorption of t-CH3C(O)OO, c-CH3C(O)OO, and alpha-lactone recorded in gaseous reactions of CH3CO and O2.

Science.gov (United States)

Chen, Sun-Yang; Lee, Yuan-Pern

2010-03-21

A step-scan Fourier-transform infrared spectrometer coupled with a multipass absorption cell was utilized to monitor the transient species produced in gaseous reactions of CH(3)CO and O(2); IR absorption spectra of CH(3)C(O)OO and alpha-lactone were observed. Absorption bands with origins at 1851+/-1, 1372+/-2, 1169+/-6, and 1102+/-3 cm(-1) are attributed to t-CH(3)C(O)OO, and those at 1862+/-3, 1142+/-4, and 1078+/-6 cm(-1) are assigned to c-CH(3)C(O)OO. A weak band near 1960 cm(-1) is assigned to alpha-lactone, cyc-CH(2)C(=O)O, a coproduct of OH. These observed rotational contours agree satisfactorily with simulated bands based on predicted rotational parameters and dipole derivatives, and observed vibrational wavenumbers agree with harmonic vibrational wavenumbers predicted with B3LYP/aug-cc-pVDZ density-functional theory. The observed relative intensities indicate that t-CH(3)C(O)OO is more stable than c-CH(3)C(O)OO by 3+/-2 kJ mol(-1). Based on these observations, the branching ratio for the OH+alpha-lactone channel of the CH(3)CO+O(2) reaction is estimated to be 0.04+/-0.01 under 100 Torr of O(2) at 298 K. A simple kinetic model is employed to account for the decay of CH(3)C(O)OO.

On the methane paradox: Transport from shallow water zones rather than in situ methanogenesis is the major source of CH4 in the open surface water of lakes

Science.gov (United States)

Encinas Fernández, Jorge; Peeters, Frank; Hofmann, Hilmar

2016-10-01

Estimates of global methane (CH4) emissions from lakes and the contributions of different pathways are currently under debate. In situ methanogenesis linked to algae growth was recently suggested to be the major source of CH4 fluxes from aquatic systems. However, based on our very large data set on CH4 distributions within lakes, we demonstrate here that methane-enriched water from shallow water zones is the most likely source of the basin-wide mean CH4 concentrations in the surface water of lakes. Consistently, the mean surface CH4 concentrations are significantly correlated with the ratio between the surface area of the shallow water zone and the entire lake, fA,s/t, but not with the total surface area. The categorization of CH4 fluxes according to fA,s/t may therefore improve global estimates of CH4 emissions from lakes. Furthermore, CH4 concentrations increase substantially with water temperature, indicating that seasonally resolved data are required to accurately estimate annual CH4 emissions.

The Products of the Thermal Decomposition of CH3CHO

Energy Technology Data Exchange (ETDEWEB)

Vasiliou, AnGayle; Piech, Krzysztof M.; Zhang, Xu; Nimlos, Mark R.; Ahmed, Musahid; Golan, Amir; Kostko, Oleg; Osborn, David L.; Daily, John W.; Stanton, John F.; Ellison, G. Barney

2011-04-06

We have used a heated 2 cm x 1 mm SiC microtubular (mu tubular) reactor to decompose acetaldehyde: CH3CHO + DELTA --> products. Thermal decomposition is followed at pressures of 75 - 150 Torr and at temperatures up to 1700 K, conditions that correspond to residence times of roughly 50 - 100 mu sec in the mu tubular reactor. The acetaldehyde decomposition products are identified by two independent techniques: VUV photoionization mass spectroscopy (PIMS) and infrared (IR) absorption spectroscopy after isolation in a cryogenic matrix. Besides CH3CHO, we have studied three isotopologues, CH3CDO, CD3CHO, and CD3CDO. We have identified the thermal decomposition products CH3(PIMS), CO (IR, PIMS), H (PIMS), H2 (PIMS), CH2CO (IR, PIMS), CH2=CHOH (IR, PIMS), H2O (IR, PIMS), and HC=CH (IR, PIMS). Plausible evidence has been found to support the idea that there are at least three different thermal decomposition pathways for CH3CHO: Radical decomposition: CH3CHO + DELTA --> CH3 + [HCO] --> CH3 + H + CO Elimination: CH3CHO + DELTA --> H2 + CH2=C=O. Isomerization/elimination: CH3CHO + DELTA --> [CH2=CH-OH] --> HC=CH + H2O. Both PIMS and IR spectroscopy show compelling evidence for the participation of vinylidene, CH2=C:, as an intermediate in the decomposition of vinyl alchohol: CH2=CH-OH + DELTA --> [CH2=C:] + H2O --> HC=CH + H2O.

Photoelectric observations of CH Cygni

Energy Technology Data Exchange (ETDEWEB)

Luud, L; Ruusalepp, M; Vennik, Ya

1977-01-01

UBV observations of the peculiar variable star CH Cygni from 1968 up to 1974 are presented. HD 182691 served as a comparison star. It turned out that the colours are in accordance with a model for a symbiotic star. The colour-magnitude diagrams of CH Cygni allow dividing the period of the observations into two parts in dependence on the activity of CH Cygni. Observed brightness variations are analyzed by using autocorrelation, crosscorrelation, and power spectral density functions. It has been found that brightness variations have some periods which are given.

On the feasibility of chemi-ion formation in the system CH2CH(ã 4A″)+O(3P)

Science.gov (United States)

Metropoulos, Aristophanes

2003-12-01

We have investigated theoretically the possibility that the CH2CH(ã 4A″) radical can generate the CH2CHO+(X1A') ion upon collisions with O(3P). We have concluded that this is very unlikely because the minimum of the ground-state potential-energy surface of the ion is at about the same level as the potential energy of the asymptotic CH2CH(ã 4A″)+O(3P) fragments. In addition the Franck-Condon factors should not be favorable because of a drastic change in the geometry of the ion.

Studies of soft x-ray transmission through grid supported CH layers

Science.gov (United States)

Davis, J. S.; Keiter, P. A.; Klein, S. R.; Frank, Y.; Drake, R. P.; Shvarts, D.

2017-10-01

Recent experiments have shown that it may be possible to use laser-heated high-Z foils to drive new radiation transport (RadTran) experiments in gas fill tubes. These tubes must be pressurized above 1atm and the x-ray source needs to be physically separated from the gas. To achieve this, a grid-supported CH seal is implemented. The grid reduces the total surface area of the gas-seal interaction region lowering the thickness requirements for the CH layer. However, as mesh spacing is reduced, hole closure from wire ablation may reduce the x-ray flux. To optimize the seal design, experiments were performed measuring x-ray transmission through CH layers supported by meshes composed of copper, gold, or stainless steel and using hexagonal or square mesh geometries. The x-ray source was formed by heating a 0.5 μm thick planar gold foil with a 4 ns laser pulse at an intensity of 2 ×1014 W / cm 2. Emission data was collected using an x-ray framing camera and a Dante photodiode array. Experiments show that the CH layers can reach effective temperatures of nearly 100 eV but mesh design significantly affects performance, with a nearly 20 eV difference between the best and worst performing seal targets. This talk will discuss our findings and their impact on future RadTran experiments. This work is funded by the U.S. DOE, through the NNSA-DS and SC-OFES Joint Program in HED Laboratory Plasmas, Grant Number DE-NA0001840, the National LUFP, Grant Number DE-NA0000850, and through NNSA/OICF under Cooperatvie Agreement No. DE-FC52-08NA2830.

Exploring the crystallization landscape of cadmium bis(N-hydroxyethyl, N-isopropyldithiocarbamate), Cd[S2CN(iPr)CH2CH2OH]2

International Nuclear Information System (INIS)

Tan, Yee Seng; Halim, Siti Nadiah Abdul; Tiekink, Edward R.T.; Sunway Univ., Bandar Sunway

2016-01-01

Crystallization of Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 from ethanol yields the coordination polymer [{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 }.EtOH] ∞ (1) within 3 h. When the solution is allowed to stand for another hour, the needles begin to dissolve and prisms emerge of the supramolecular isomer (SI), binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 .2EtOH (2). These have been fully characterized spectroscopically and by X-ray crystallography. Polymeric 1 has 2-fold symmetry and features dithiocarbamate ligands coordinating two octahedral Cd atoms in a μ 2 κ 2 -tridentate mode. Binuclear 2 is centrosymmetric with two ligands being μ 2 κ 2 -tridentate as for 1 but the other two being κ 2 -chelating leading to square pyramidal geometries. The conversion of the kinetic crystallization product, 1, to thermodynamic 2 is irreversible but transformations mediated by recrystallization (ethanol and acetonitrile) to related literature SI species, namely coordination polymer [{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 3 .MeCN] ∞ and binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 .2H 2 O.2MeCN, are demonstrated, some of which are reversible. Three other crystallization outcomes are described whereby crystal structures were obtained for the 1:2 co-crystal {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 :2[3-(propan-2-yl)-1,3-oxazolidine-2-thione] (3), the salt co-crystal [iPrNH 2 (CH 2 CH 2 OH)] 4 [SO 4 ] 2 {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 (4) and the salt [iPrNH 2 (CH 2 CH 2 OH)]{Cd[S 2 CN(iPr)CH 2 CH 2 OH] 3 } (5). These arise as a result of decomposition/oxidation of the dithiocarbamate ligands. In each of 3 and 4 the binuclear {Cd[S 2 CN(iPr)CH 2 CH 2 OH] 2 } 2 SI, as in 2, is observed strongly suggesting a thermodynamic preference for this form.

Produkce vybraných metabolitů karotenogenními kvasinkami kultivovanými na potravinářských odpadech

OpenAIRE

Turková, Lucie

2015-01-01

U použitých kmenů kvasinek (Cystofilobasidium capitatum, Rhodotorula glutinis, Sporobolomyces shibatanus a Sporobolomyces roseus) byla sledována produkce vybraných metabolitů - zejména karotenoidů, dále pak i ergosterolu a koenzymu Q. Kvasinky byly kultivovány na odpadních substrátech z vinařství - výliscích (slupkách) a třapinách. Odpadní substráty byly podrobeny analýze obsahu sacharidů, tuků, tříslovin, polyfenolů a dalších látek. Kultivace probíhaly též na chemicky a enzymově hydrolyzovan...

Radiative forcing calculations for CH3Cl

International Nuclear Information System (INIS)

Grossman, A.S.; Grant, K.E.; Wuebbles, D.J.

1994-06-01

Methyl chloride, CH 3 Cl, is the major natural source of chlorine to the stratosphere. The production of CH 3 Cl is dominated by biological sources from the oceans and biomass burning. Production has a seasonal cycle which couples with the short lifetime of tropospheric CH 3 Cl to produce nonuniform global mixing. As an absorber of infrared radiation, CH 3 Cl is of interest for its potential affect on the tropospheric energy balance as well as for its chemical interactions. In this study, we estimate the radiative forcing and global warming potential (GWP) of CH 3 Cl. Our calculations use an infrared radiative transfer model based on the correlated k-distribution algorithm for band absorption. Global and annual average vertical profiles of temperature and trace gas concentration were assumed. The effects of clouds are modeled using three layers of global and annual average cloud optical properties. A radiative forcing value of 0.0053 W/m 2 ppbv was obtained for CH 3 Cl and is approximately linear in the background abundance. This value is about 2 percent of the forcing of CFC-11 and about 300 times the forcing of CO 2 , on a per molecule basis. The radiative forcing calculation for CH 3 Cl is used to estimate the global warming potential (GWP) of CH 3 Cl. The results give GWPs for CH 3 Cl of the order of 25 at a time of 20 years(CO 2 = 1). This result indicates that CH 3 Cl has the potential to be a major greenhouse gas if significant human related emissions were introduced into the atmosphere

New transport and handling contract

CERN Multimedia

SC Department

2008-01-01

A new transport and handling contract entered into force on 1.10.2008. As with the previous contract, the user interface is the internal transport/handling request form on EDH: https://edh.cern.ch/Document/TransportRequest/ To ensure that you receive the best possible service, we invite you to complete the various fields as accurately as possible and to include a mobile telephone number on which we can reach you. You can follow the progress of your request (schedule, completion) in the EDH request routing information. We remind you that the following deadlines apply: 48 hours for the transport of heavy goods (up to 8 tonnes) or simple handling operations 5 working days for crane operations, transport of extra-heavy goods, complex handling operations and combined transport and handling operations in the tunnel. For all enquiries, the number to contact remains unchanged: 72202. Heavy Handling Section TS-HE-HH 72672 - 160319

Joint Annual Meeting of the Austrian Physical Society and the Swiss Physical Society together with the Austrian and Swiss Societies for Astronomy and Astrophysics

International Nuclear Information System (INIS)

2013-01-01

The Joint Annual Meeting of the Austrian Physical Society and the Swiss Physical Society was organized together with both national societies of Astronomy and Astrophysics (SSAA and ÖGAA) at the Johannes Kepler University Linz, Altenberger Straße 69, 4040 Linz, Austria. The plenary sessions gave an overview of the present status of research in quantum mechanics, particle, atomic and molecular physics. The topical sessions were dedicated to: nuclear, particle- and astro particle physics; physics teachers; acoustics; atoms, molecules, quantum optics and plasmas; solid state physics and research with neutron and synchrotron radiation; history of physics; medical, bio and environmental physics; surfaces, interfaces and thin films; careers in physics. There were special sessions on thermoelectrics and photovoltaics. In addition to the regular program, an Energy Day (Energietag) with several parallel sessions on recent topics of energy generation, -transport and -storage was jointly organized by the Energy and Industry Subdivisions of the Austrian Physical Society and by the Johannes Kepler Universität Linz. Those contributions which are in the INIS subject scope are indexed individually

Potential problems from shipment of high-curie content contact-handled transuranic (CH-TRU) waste to WIPP

International Nuclear Information System (INIS)

Neill, R.H.; Channell, J.K.

1983-08-01

There are about 1000 drums of contact-handled transuranic (CH-TRU) wastes containing more than 100 Ci/drum of Pu-238 that are stored at the Savannah River Plant and at the Los Alamos National Laboratory. Studies performed at DOE laboratories have shown that large quantities of gases are generated in stored drums containing 100 Ci of 238 Pu. Concentrations of hydrogen gas in the void space of the drums are often found to be high enough to be explosive. None of the analyses in the DOE WIPP Final Environmental Impact Statement, Safety Analysis Report, and Preliminary Transportation Analysis have considered the possibility that the generation of hydrogen gas by radiolysis may create an explosive or flammable hazard that could increase the frequency and severity of accidental releases of radionuclides during transportation or handling. These high 238 Pu concentration containers would also increase the estimated doses received by individuals and populations from transportation, WIPP site operations, and human intrusion scenarios even if the possibility of gas-enhanced releases is ignored. The WIPP Project Office has evaluated this effect on WIPP site operations and is suggesting a maximum limit of 140 239 Pu equivalent curies (P-Ci) per drum so that postulated accidental off-site doses will not be larger than those listed in the FEIS. The TRUPACT container, which is being designed for the transportation of CH-TRU wastes to WIPP, does not appear to meet the Nuclear Regulatory Commission regulations requiring double containment for the transportation of plutonium in quantities >20 Ci. A 20 alpha Ci/shipment limit would require about 200,000 shipments for the 4 million curies of alpha emitters slated for WIPP

SYNTHESIS AND CHARACTERIZATION OF (MU-5-C5ME5)2TI(R)CL (R = ME, ET, NORMAL-PR, CH=CH2, PH, O-NORMAL-PR) AND THEIR SALT METATHESIS REACTIONS - THERMAL-DECOMPOSITION PATHWAYS OF (MU-5-C5ME5)2TI(ME)R' (R' = ET, CH=CH2, PH, CH2PH)

NARCIS (Netherlands)

LUINSTRA, GA; TEUBEN, JH

Complexes Cp*2Ti(R)Cl (Cp* = eta-5-C5Me5; R = Me (1), Et (2), n-Pr (3), CH=CH2 (4), Ph (5), O-n-Pr (6)) have been prepared by oxidation Of CP*2TiR with lead dichloride. Not every compound Cp*2Ti(R)Cl was accessible and for R = CH2CMe3 and CH2Ph reduction to Cp*2TiCl and R. was observed. Homolysis of

Synthesis and Characterization of (η5-C5Me5)2Ti(R)Cl (R = Me, Et, n-Pr, CH=CH2, Ph, O-n-Pr) and Their Salt Metathesis Reactions. Thermal Decomposition Pathways of (η5-C5Me5)2Ti(Me)R' (R' = Et, CH=CH2, Ph, CH2Ph)

NARCIS (Netherlands)

Luinstra, Gerrit A.; Teuben, Jan H.

1992-01-01

Complexes Cp*2Ti(R)Cl (Cp* = η5-C5Me5; R = Me (1), Et (2), n-Pr (3), CH=CH2 (41, Ph (5), O-n-Pr (6)) have been prepared by oxidation of Cp*2TiR with lead dichloride. Not every compound Cp*2Ti(R)Cl was accessible and for R = CH2CMe3 and CH2Ph reduction to Cp*2TiCl and R· was observed. Homolysis of

Kinetic isotope effects in the gas phase reactions of OH and Cl with CH3Cl, CD3Cl, and 13CH3Cl

Directory of Open Access Journals (Sweden)

A. A. Gola

2005-01-01

Full Text Available The kinetic isotope effects in the reactions of CH3Cl, 13CH3Cl and CD3Cl with OH radicals and Cl atoms were studied in relative rate experiments at 298±2 K and 1013±10 mbar. The reactions were carried out in a smog chamber using long path FTIR detection and the spectroscopic data analyzed employing a non-linear least squares spectral fitting method using measured high-resolution infrared spectra as well as absorption cross sections from the HITRAN database. The reaction rates of 13CH3Cl and CD3Cl with OH and Cl were determined relative to CH3Cl as: kOH+CH3ClkOH+CH3Cl/kOH+13CH3Cl}kOH+13CH3Cl=1.059±0.008, kOH+CH3ClkOH+CH3Cl/kOH+CD3ClkOH+CD3Cl=3.9±0.4, kCl+CH3ClkCl+CH3Cl/kCl+13CH3ClkCl+13CH3Cl =1.070±0.010 and kCl+CH3ClkCl+CH3Cl/kCl+CD3ClkCl+CD3Cl=4.91±0.07. The uncertainties given are 2σ from the statistical analyses and do not include possible systematic errors. The unexpectedly large 13C kinetic isotope effect in the OH reaction of CH3Cl has important implications for the global emission inventory of CH3Cl.

Transportation of hazardous goods

CERN Multimedia

TS Department

2008-01-01

A general reminder: any transportation of hazardous goods by road is subject to the European ADR rules. The goods concerned are essentially the following: Explosive substances and objects; Gases (including aerosols and non-flammable gases such as helium and nitrogen); Flammable substances and liquids (inks, paints, resins, petroleum products, alcohols, acetone, thinners); Toxic substances (acids, thinners); Radioactive substances; Corrosive substances (paints, acids, caustic products, disinfectants, electrical batteries). Any requests for the transport of hazardous goods must be executed in compliance with the instructions given at this URL: http://ts-dep.web.cern.ch/ts-dep/groups/he/HH/adr.pdf Heavy Handling Section TS-HE-HH 73793 - 160364

Palladium Catalyzed Allylic C-H Alkylation

DEFF Research Database (Denmark)

Engelin, Casper Junker; Fristrup, Peter

2011-01-01

are highlighted with emphasis on those leading to C-C bond formation, but where it was deemed necessary for the general understanding of the process closely related C-H oxidations and aminations are also included. It is found that C-H cleavage is most likely achieved by ligand participation which could involve......-H alkylation reaction which is the topic of the current review. Particular emphasis is put on current mechanistic proposals for the three reaction types comprising the overall transformation: C-H activation, nucleophillic addition, and re-oxidation of the active catalyst. Recent advances in C-H bond activation...... an acetate ion coordinated to Pd. Several of the reported systems rely on benzoquinone for re-oxidation of the active catalyst. The scope for nucleophilic addition in allylic C-H alkylation is currently limited, due to demands on pKa of the nucleophile. This limitation could be due to the pH dependence...

Thermodynamic calculations in the system CH4-H2O and methane hydrate phase equilibria

Science.gov (United States)

Circone, S.; Kirby, S.H.; Stern, L.A.

2006-01-01

Using the Gibbs function of reaction, equilibrium pressure, temperature conditions for the formation of methane clathrate hydrate have been calculated from the thermodynamic properties of phases in the system CH4-H 2O. The thermodynamic model accurately reproduces the published phase-equilibria data to within ??2 K of the observed equilibrium boundaries in the range 0.08-117 MPa and 190-307 K. The model also provides an estimate of the third-law entropy of methane hydrate at 273.15 K, 0.1 MPa of 56.2 J mol-1 K-1 for 1/n CH4??H 2O, where n is the hydrate number. Agreement between the calculated and published phase-equilibria data is optimized when the hydrate composition is fixed and independent of the pressure and temperature for the conditions modeled. ?? 2006 American Chemical Society.

Imunologické příčiny opakovaných těhotenských ztrát

Czech Academy of Sciences Publication Activity Database

Madar, J.; Chaloupková, Alena; Šůla, K.; Pěknicová, Jana; Nováková, D.; Nouza, K.; Kinský, R.

2002-01-01

Roč. 4, č. 3 (2002), s. 1-96 ISSN 1212-687X. [Sjezd českých a slovenských alergologů a klinických imunologů /19./. 06.10.2002-09.10.2002, Karlovy Vary] R&D Projects: GA MZd NH6463 Keywords : abortion * kardiolipin Subject RIV: EB - Genetics ; Molecular Biology

Zatopení nízkých pravoúhlých přelivů se širokou korunou

OpenAIRE

Major, Jakub

2015-01-01

Diplomová práce pojednává o zatopení nízkých pravoúhlých přelivů se širokou korunou. Z měření úrovní hladin před a za přelivem při různých průtokových stavech a různých výškách přelivu, byly stanoveny hodnoty součinitele zatopení přelivu v závislosti na relativní výšce zatopení. Z nich byla stanovena rovnice součinitele zatopení. Změřené hodnoty byly porovnány s výsledky měření, které jsou uvedeny v odborné literatuře. This diploma thesis deals with submergence of low rectangular sharp-edg...

Studium vlastností cementových betonů při působení vysokých teplot

OpenAIRE

Žák, Michal

2016-01-01

Diplomová práce je zaměřena na chování cementových betonů při působení vysokých teplot. V teoretické části byly popsány procesy, které probíhají v betonu při teplotním zatížení a vliv tohoto zatížení na mechanické a fyzikální vlastnosti betonu. Popsány byly doporučení pro zkoušení fyzikálních a mechanických vlastností podle RILEM TC. V experimentální části byly vyrobeny receptury s kamenivem moravská droba, s amfibolitickým kamenivem a s přídavkem polypropylenových vláken nebo celulózových vl...

Side chain mobility as monitored by CH-CH cross correlation: The example of cytochrome b5

International Nuclear Information System (INIS)

Banci, Lucia; Bertini, Ivano; Felli, Isabella C.; Hajieva, Parvana; Viezzoli, Maria Silvia

2001-01-01

The mobility of βCH 2 moieties in oxidized and reduced cytochrome b 5 was studied by analyzing the 13 C relaxation of the J-split components, in terms of C-H dipole-C-H dipole cross correlation rates. A 2D 13 C- 1 H experiment is proposed to measure these rates that provide the internal effective reorientation correlation time for each CH 2 moiety. It is found that higher mobility is present in the α helices forming the heme pocket. On the contrary, the β strands, which form the hydrophobic core of the molecule, have the lowest mobility. The general pattern is the same for the oxidized and reduced species, indicating that any oxidation-dependent property detected for backbone NH moieties does not affect the CH 2 mobility

Intercontinental transport of biomass burning pollutants over the Mediterranean Basin during the summer 2014 ChArMEx-GLAM airborne campaign

Directory of Open Access Journals (Sweden)

V. Brocchi

2018-05-01

Full Text Available The Gradient in Longitude of Atmospheric constituents above the Mediterranean basin (GLAM campaign was set up in August 2014, as part of the Chemistry and Aerosol Mediterranean Experiment (ChArMEx project. This campaign aimed to study the chemical variability of gaseous pollutants and aerosols in the troposphere along a west–east transect above the Mediterranean Basin (MB. In the present work, we focus on two biomass burning events detected at 5.4 and 9.7 km altitude above sea level (a.s.l. over Sardinia (from 39°12′ N–9°15′ E to 35°35′ N–12°35′ E and at 39°30′ N–8°25′ E, respectively. Concentration variations in trace gas carbon monoxide (CO, ozone (O3 and aerosols were measured thanks to the standard instruments on board the Falcon 20 aircraft operated by the Service des Avions Français Instrumentés pour la Recherche en Environnement (SAFIRE and the Spectromètre InfraRouge In situ Toute Altitude (SPIRIT developed by LPC2E. Twenty-day backward trajectories with Lagrangian particle dispersion model FLEXPART (FLEXible PARTicle help to understand the transport processes and the origin of the emissions that contributed to this pollution detected above Sardinia. Biomass burning emissions came (i on 10 August from the North American continent with air masses transported during 5 days before arriving over the MB, and (ii on 6 August from Siberia, with air masses travelling during 12 days and enriched in fire emission products above Canada 5 days before arriving over the MB. In combination with the Global Fire Assimilation System (GFAS inventory and the Moderate Resolution Imaging Spectroradiometer (MODIS satellite fire locations, FLEXPART reproduces well the contribution of those fires to CO and aerosols enhancements under adjustments of the injection height to 10 km in both cases and application of an amplification factor of 2 on CO GFAS emissions for the 10 August event. The chemistry transport

InChIKey collision resistance: an experimental testing

Directory of Open Access Journals (Sweden)

Pletnev Igor

2012-12-01

Full Text Available Abstract InChIKey is a 27-character compacted (hashed version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while the second block represents various kinds of isomerism (stereo, tautomeric, etc.. InChIKey is designed to be a nearly unique substitute for the parent InChI. However, a single InChIKey may occasionally map to two or more InChI strings (collision. The appearance of collision itself does not compromise the signature as collision-free hashing is impossible; the only viable approach is to set and keep a reasonable level of collision resistance which is sufficient for typical applications. We tested, in computational experiments, how well the real-life InChIKey collision resistance corresponds to the theoretical estimates expected by design. For this purpose, we analyzed the statistical characteristics of InChIKey for datasets of variable size in comparison to the theoretical statistical frequencies. For the relatively short second block, an exhaustive direct testing was performed. We computed and compared to theory the numbers of collisions for the stereoisomers of Spongistatin I (using the whole set of 67,108,864 isomers and its subsets. For the longer first block, we generated, using custom-made software, InChIKeys for more than 3 × 1010 chemical structures. The statistical behavior of this block was tested by comparison of experimental and theoretical frequencies for the various four-letter sequences which may appear in the first block body. From the results of our computational experiments we conclude that the observed characteristics of InChIKey collision resistance are in good agreement with theoretical expectations.

Interfacial Charge-Carrier Trapping in CH3NH3PbI3-Based Heterolayered Structures Revealed by Time-Resolved Photoluminescence Spectroscopy.

Science.gov (United States)

Yamada, Yasuhiro; Yamada, Takumi; Shimazaki, Ai; Wakamiya, Atsushi; Kanemitsu, Yoshihiko

2016-06-02

The fast-decaying component of photoluminescence (PL) under very weak pulse photoexcitation is dominated by the rapid relaxation of the photoexcited carriers into a small number of carrier-trapping defect states. Here, we report the subnanosecond decay of the PL under excitation weaker than 1 nJ/cm(2) both in CH3NH3PbI3-based heterostructures and bare thin films. The trap-site density at the interface was evaluated on the basis of the fluence-dependent PL decay profiles. It was found that high-density defects determining the PL decay dynamics are formed near the interface between CH3NH3PbI3 and the hole-transporting Spiro-OMeTAD but not at the CH3NH3PbI3/TiO2 interface and the interior regions of CH3NH3PbI3 films. This finding can aid the fabrication of high-quality heterointerfaces, which are required improving the photoconversion efficiency of perovskite-based solar cells.

On the origin and magnitude of pre-industrial anthropogenic CO[sub 2] and CH[sub 4] emissions

Energy Technology Data Exchange (ETDEWEB)

Kammen, D.M.; Marino, B.D. (Harvard University, Cambridge, MA (USA). Dept. of Physics)

Little is known of the origin and magnitude of anthropogenic non-fossil emissions, although this activity currently contributes up to 40% of the global CO[sub 2] emissions. Here we provide estimates of CO[sub 2] and CH[sub 4] emissions resulting from pre-industrial societies by combining historical demographic and archaeological data. Combustion of non-fossil carbon for domestic needs, small-scale industrial/craft activities and resulting from agricultural land management was significant, reaching about 1 Gt of carbon (Gtc) as CO[sub 2] yr[sup -1] and 10 g Tg of carbon CH[sub 4] yr[sup -1] by 1800 A.D. This data implies a significant anthropogenic source of pre-industrial atmospheric greenhouse gases, consistent with estimates derived from carbon cycle model. We illustrate the contribution of archaeological data with two case studies: (1) estimates of CH[sub 4] emissions from agricultural activity from the Maya Lowlands; and (2) evidence of correlations between climatic and socio-economic conditions in North Atlanic Norse settlements. 47 refs., 3 figs., 2 tabs.

Využití umělé inteligence na kapitálových trzích

OpenAIRE

Skoumal, Karel

2014-01-01

Práce se zabývá problematikou obchodování na kapitálových trzích, využitím prostředků umělé inteligence, umělých neuronových sítí, pro modelování chování akcií. Práce obsahuje popis kapitálových trhů, burzovního obchodování, metod umělé inteligence. Hlavní částí je model pro predikci kurzu a trendu akcií fungující v prostředí MATLAB, který sloužící jako podpora pro obchodní rozhodování The thesis deals with the trading on capital markets, the use of artificial intelligence, artificial neur...

In-situ studies of microbial CH4 oxidation efficiency in Arctic wetland soils. Applications of stable carbon isotopes

International Nuclear Information System (INIS)

Preuss, Inken-Marie

2013-01-01

Arctic wetland soils are significant sources of the climate-relevant trace gas methane (CH 4 ). The observed accelerated warming of the Arctic is expected to cause deeper permafrost thawing followed by increased carbon mineralization and CH 4 formation in water-saturated permafrost-affected tundra soils thus creating a positive feedback to climate change. Aerobic CH 4 oxidation is regarded as the key process reducing CH 4 emissions from wetlands, but quantification of turnover rates has remained difficult so far. This study improved the in-situ quantification of microbial CH 4 oxidation efficiency in arctic wetland soils in Russia's Lena River Delta based on stable isotope signatures of CH 4 . In addition to the common practice of determining the stable isotope fractionation during oxidation, additionally the fractionation effect of diffusion, an important gas transport mechanism in tundra soils, was investigated for both saturated and unsaturated conditions. The isotopic fractionation factors α ox and α diff were used to calculate the CH 4 oxidation efficiency from the CH 4 stable isotope signatures of wet polygonal tundra soils of different hydrology. Further, the method was used to study the short-term effects of temperature increase with a climate manipulation experiment. For the first time, the stable isotope fractionation of CH 4 diffusion through water-saturated soils was determined with α diff = 1.001 ± 0.0002 (n = 3). CH 4 stable isotope fractionation during diffusion through air-filled pores of the investigated polygonal tundra soils was α diff = 1.013 ± 0.003 (n = 18). For the studied sites the fractionation factor for diffusion under saturated conditions α diff = 1.001 seems to be of utmost importance for the quantification of the CH 4 oxidation efficiency, since most of the CH 4 is oxidized in the saturated part at the aerobic-anaerobic interface. Furthermore, it was found that α ox differs widely between sites and horizons (mean α ox = 1

In situ measurements of HCN and CH3CN over the Pacific Ocean: Sources, sinks, and budgets

Science.gov (United States)

Singh, H. B.; Salas, L.; Herlth, D.; Kolyer, R.; Czech, E.; Viezee, W.; Li, Q.; Jacob, D. J.; Blake, D.; Sachse, G.; Harward, C. N.; Fuelberg, H.; Kiley, C. M.; Zhao, Y.; Kondo, Y.

2003-10-01

We report the first in situ measurements of hydrogen cyanide (HCN) and methyl cyanide (CH3CN, acetonitrile) from the Pacific troposphere (0-12 km) obtained during the NASA Transport and Chemical Evolution over the Pacific (TRACE-P) airborne mission (February-April 2001). Mean HCN and CH3CN mixing ratios of 243 ± 118 (median 218) ppt and 149 ± 56 (median 138) ppt, respectively, were measured. These in situ observations correspond to a mean tropospheric HCN column of 4.2 × 1015 molecules cm-2 and a CH3CN column of 2.5 × 1015 molecules cm-2. This is in good agreement with the 0-12 km HCN column of 4.4 (±0.6) × 1015 molecules cm-2 derived from infrared solar spectroscopic observations over Japan. Mixing ratios of HCN and CH3CN were greatly enhanced in pollution outflow from Asia and were well correlated with each other as well as with known tracers of biomass combustion (e.g., CH3Cl, CO). Volumetric enhancement (or emission) ratios (ERs) relative to CO in free tropospheric plumes, likely originating from fires, were 0.34% for HCN and 0.17% for CH3CN. ERs with respect to CH3Cl and CO in selected biomass burning (BB) plumes in the free troposphere and in boundary layer pollution episodes are used to estimate a global BB source of 0.8 ± 0.4 Tg (N) yr-1 for HCN and 0.4 ± 0.1 Tg (N) yr-1 for CH3CN. In comparison, emissions from industry and fossil fuel combustion are quite small (atmospheric residence time of 5.0 months for HCN and 6.6 months for CH3CN is calculated. A global budget analysis shows that the sources and sinks of HCN and CH3CN are roughly in balance but large uncertainties remain in part due to a lack of observational data from the atmosphere and the oceans. Pathways leading to the oceanic (and soil) degradation of these cyanides are poorly known but are expected to be biological in nature.

CH2 molecular beam source

International Nuclear Information System (INIS)

Porter, R.A.R.; Grosser, A.E.

1980-01-01

A molecular beam source of CH 2 is described. Coaxial beams of methylene halide and alkali metal react and the mixture is formed into a molecular beam. Passage through a mechanical velocity selector rotating at a suitably high speed purifies the beam, separating light, fast CH 2 from heavier, slower contaminating species

Photolysis of CH3CHO at 248 nm: Evidence of triple fragmentation from primary quantum yield of CH3 and HCO radicals and H atoms

Science.gov (United States)

Morajkar, Pranay; Bossolasco, Adriana; Schoemaecker, Coralie; Fittschen, Christa

2014-06-01

Radical quantum yields have been measured following the 248 nm photolysis of acetaldehyde, CH3CHO. HCO radical and H atom yields have been quantified by time resolved continuous wave Cavity Ring Down Spectroscopy in the near infrared following their conversion to HO2 radicals by reaction with O2. The CH3 radical yield has been determined using the same technique following their conversion into CH3O2. Absolute yields have been deduced for HCO radicals and H atoms through fitting of time resolved HO2 profiles, obtained under various O2 concentrations, to a complex model, while the CH3 yield has been determined relative to the CH3 yield from 248 nm photolysis of CH3I. Time resolved HO2 profiles under very low O2 concentrations suggest that another unknown HO2 forming reaction path exists in this reaction system besides the conversion of HCO radicals and H atoms by reaction with O2. HO2 profiles can be well reproduced under a large range of experimental conditions with the following quantum yields: CH3CHO + hν248nm → CH3CHO*, CH3CHO* → CH3 + HCO ϕ1a = 0.125 ± 0.03, CH3CHO* → CH3 + H + CO ϕ1e = 0.205 ± 0.04, CH3CHO*{to 2pc{rArrfill}}limits^{o2}CH3CO + HO2 ϕ1f = 0.07 ± 0.01. The CH3O2 quantum yield has been determined in separate experiments as φ_{CH3} = 0.33 ± 0.03 and is in excellent agreement with the CH3 yields derived from the HO2 measurements considering that the triple fragmentation (R1e) is an important reaction path in the 248 nm photolysis of CH3CHO. From arithmetic considerations taking into account the HO2 and CH3 measurements we deduce a remaining quantum yield for the molecular pathway: CH3CHO* → CH4 + CO ϕ1b = 0.6. All experiments can be consistently explained with absence of the formerly considered pathway: CH3CHO* → CH3CO + H ϕ1c = 0.

Influence of vehicular emissions on atmospheric CH4 and NMHC mixing ratios and its correlation with CO and other VOCs tracers in Mexico City

Science.gov (United States)

Solano-Murillo, M.; Torres-Jardón, R.; Ruiz-Suárez, L. G.; Barrera-Huertas, H.; Hernandez-Solis, J. M.

2016-12-01

The Mexico City Metropolitan Area (MCMA) is one of the world's largest and most polluted urban areas. A recent GHC emission inventory for MCMA suggests that vehicular emissions contribute with around 37% of CH4, followed by landfills and dump garbage areas (30%) and construction and manufacturing (27%). Contrary to other urban areas, natural gas is not the main fuel used in MCMA, neither for domestic and industrial heating, nor for transportation. Therefore, there is a great uncertainty about who is the main contributor of CH4 emissions. An intensive monitoring campaign of methane (CH4), Non-methane hydrocarbons (NMHC) and carbon monoxide (CO) was performed between February and March 2015 in southwest MCMA. Methane concentrations showed sometimes a diurnal pattern similar to those of CO and to NMHC but most of the time this similarity was lost (CH4 vs CO, R2 = 0.27; CH4 vs NMHC, R2 = 0.28). However, NMHC correlated well with CO (R2 = 0.75). The intercepts of the CH4-CO correlation resulted in [CH4] 1.8 ppm and that of the CO-NMHC correlation in [CO] 0.080 ppb. The lack of agreement between CH4 and CO indicates these species do not come from the same sources. The results suggest that vehicular emissions are not significant contributors to atmospheric CH4 and that the background methane concentration has not change significantly in 25 years. An attempt to correlate some tracers COVs tracers of vehicular and biomass burning with CH4, NMHC and CH4 is done.

A Novel Role of MerC in Methylmercury Transport and Phytoremediation of Methylmercury Contamination.

Science.gov (United States)

Sone, Yuka; Uraguchi, Shimpei; Takanezawa, Yasukazu; Nakamura, Ryosuke; Pan-Hou, Hidemitsu; Kiyono, Masako

2017-01-01

MerC, encoded by merC in the transposon Tn21 mer operon, is a heavy metal transporter with potential applications for phytoremediation of heavy metals such as mercuric ion and cadmium. In this study, we demonstrate that MerC also acts as a transporter for methylmercury. When MerC was expressed in Escherichia coli XL1-Blue, cells became hypersensitive to CH 3 Hg(I) and the uptake of CH 3 Hg(I) by these cells was higher than that by cells of the isogenic strain. Moreover, transgenic Arabidopsis plants expressing bacterial MerC or MerC fused to plant soluble N-ethylmaleimide-sensitive factor attachment protein receptors (SNAREs) accumulated CH 3 Hg(I) effectively and their growth was comparable to the wild-type plants. These results demonstrate that when the bacterium-derived merC gene is ectopically introduced in genetically modified plants, MerC expression in the transgenic plants promotes the transport and sequestration of methylmercury. Thus, our results show that the expression of merC in Arabidopsis results in transgenic plants that could be used for the phytoremediation and elimination of toxic methylmercury from the environment.

Bio-refinery system of DME or CH4 production from black liquor gasification in pulp mills

Energy Technology Data Exchange (ETDEWEB)

Raza, M.; Jinyue Yan (Dept. of Chemical Engineering and Technology/Energy Processes, Royal Institute of Technology, Stockholm (Sweden)). e-mail: rnaqvi@kth.se; Froeling, Morgan (Dept. of Chemical and Biological Engineering, Chalmers Univ. of Technology, Goeteborg (Sweden))

2009-07-01

The consumption of fossil fuels is rapidly increasing and there is an urgent need to develop technologies for renewable fuel production not only as alternatives but also as additional fuels. Efficient polygeneration of transportation fuels with heat and electricity is one of the innovative technologies which have potential to replace fossil fuels and mitigate climate change. Two potential technologies of producing dimethyl ether (DME) and methane (CH4) as alternative fuels integrated with black liquor gasification have been studied and compared in this paper. System performance is evaluated based on: (i) Comparison with the reference pulp mill, (ii) Fuel to product efficiency (FTPE) and (iii) Biofuel Production Potential (BPP). The comparison with the reference mill shows that black liquor to biofuel route will add a highly significant new revenue stream to the pulp industry. The results indicate a large potential of DME and CH4 production globally in terms of black liquor availability. BPP and FTPE of CH4 production is higher than DME due to more optimized integration with the pulping process and elimination of evaporation unit in the pulp mill

Discussion of the influence of CO and CH4 in CO2 transport, injection, and storage for CCS technology.

Science.gov (United States)

Blanco, Sofía T; Rivas, Clara; Bravo, Ramón; Fernández, Javier; Artal, Manuela; Velasco, Inmaculada

2014-09-16

This paper discusses the influence of the noncondensable impurities CO and CH4 on Carbon Capture and Storage (CCS) technology. We calculated and drew conclusions about the impact of both impurities in the CO2 on selected transport, injection, and storage parameters (pipeline pressure drop, storage capacity, etc.), whose analysis is necessary for the safe construction and operation of CO2 pipelines and for the secure long-term geological storage of anthropogenic CO2. To calculate these parameters, it is necessary to acquire data on the volumetric properties and the vapor-liquid equilibrium of the fluid being subjected to CCS. In addition to literature data, we used new experimental data, which are presented here and were obtained for five mixtures of CO2+CO with compositions characteristic of the typical emissions of the E.U. and the U.S.A. Temperatures and pressures are based on relevant CO2 pipeline and geological storage site values. From our experimental results, Peng-Robinson, PC-SAFT, and GERG Equations of State for were validated CO2+CO under the conditions of CCS. We conclude that the concentration of both impurities strongly affects the studied parameters, with CO being the most influential and problematic. The overall result of these negative effects is an increase in the difficulties, risks, and overall costs of CCS.

Impact of CH3NH3PbI3-PCBM bulk heterojunction active layer on the photovoltaic performance of perovskite solar cells

Science.gov (United States)

Chaudhary, Dhirendra K.; Kumar, Pankaj; Kumar, Lokendra

2017-10-01

We report here the impact of CH3NH3PbI3-PCBM bulk heterojunction (BHJ) active layer on the photovoltaic performance of perovskite solar cells. The solar cells were prepared in normal architecture on FTO coated glass substrates with compact TiO2 (c-TiO2) layer on FTO as electron transport layer (ETL) and poly(3-hexylthiophene) (P3HT) as hole transport layer (HTL). For comparison, a few solar cells were also prepared in planar heterojunction structure using CH3NH3PbI3 only as the active layer. The bulk heterojunction CH3NH3PbI3-PCBM active layer exhibited very large crystalline grains of 2-3 μm compared to ∼150 nm only in CH3NH3PbI3 active layer. Larger grains in bulk-heterojunction solar cells resulted in enhanced power conversion efficiency (PCE) through enhancement in all the photovoltaic parameters compared to planar heterojunction solar cells. The bulk-heterojunction solar cells exhibited ∼9.25% PCE with short circuit current density (Jsc) of ∼18.649 mA/cm2, open circuit voltage (Voc) of 0.894 V and Fill Factor (FF) of 0.554. There was ∼36.9% enhancement in the PCE of bulk-heterojunction solar cells compared to that of planar heterojunction solar cells. The larger grains are formed as a result of incorporation on PCBM in the active layer.

Material Exchange Property of Organo Lead Halide Perovskite with Hole-Transporting Materials

Directory of Open Access Journals (Sweden)

Seigo Ito

2015-10-01

Full Text Available Using X-ray diffraction (XRD, it was confirmed that the deposition of hole-transporting materials (HTM on a CH3NH3PbI3 perovskite layer changed the CH3NH3PbI3 perovskite crystal, which was due to the material exchanging phenomena between the CH3NH3PbI3 perovskite and HTM layers. The solvent for HTM also changed the perovskite crystal. In order to suppress the crystal change, doping by chloride ion, bromide ion and 5-aminovaleric acid was attempted. However, the doping was unable to stabilize the perovskite crystal against HTM deposition. It can be concluded that the CH3NH3PbI3 perovskite crystal is too soft and flexible to stabilize against HTM deposition.

C-H Activation and Alkyne Annulation via Automatic or Intrinsic Directing Groups: Towards High Step Economy.

Science.gov (United States)

Zheng, Liyao; Hua, Ruimao

2018-06-01

Direct transformation of carbon-hydrogen bond (C-H) has emerged to be a trend for construction of molecules from building blocks with no or less prefunctionalization, leading high atom and step economy. Directing group (DG) strategy is widely used to achieve higher reactivity and selectivity, but additional steps are usually needed for installation and/or cleavage of DGs, limiting step economy of the overall transformation. To meet this challenge, we proposed a concept of automatic DG (DG auto ), which is auto-installed and/or auto-cleavable. Multifunctional oxime and hydrazone DG auto were designed for C-H activation and alkyne annulation to furnish diverse nitrogen-containing heterocycles. Imidazole was employed as an intrinsic DG (DG in ) to synthesize ring-fused and π-extended functional molecules. The alkyne group in the substrates can also be served as DG in for ortho-C-H activation to afford carbocycles. In this account, we intend to give a review of our progress in this area and brief introduction of other related advances on C-H functionalization using DG auto or DG in strategies. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Additional Value of CH4 Measurement in a Combined 13C/H2 Lactose Malabsorption Breath Test: A Retrospective Analysis

Science.gov (United States)

Houben, Els; De Preter, Vicky; Billen, Jaak; Van Ranst, Marc; Verbeke, Kristin

2015-01-01

The lactose hydrogen breath test is a commonly used, non-invasive method for the detection of lactose malabsorption and is based on an abnormal increase in breath hydrogen (H2) excretion after an oral dose of lactose. We use a combined 13C/H2 lactose breath test that measures breath 13CO2 as a measure of lactose digestion in addition to H2 and that has a better sensitivity and specificity than the standard test. The present retrospective study evaluated the results of 1051 13C/H2 lactose breath tests to assess the impact on the diagnostic accuracy of measuring breath CH4 in addition to H2 and 13CO2. Based on the 13C/H2 breath test, 314 patients were diagnosed with lactase deficiency, 138 with lactose malabsorption or small bowel bacterial overgrowth (SIBO), and 599 with normal lactose digestion. Additional measurement of CH4 further improved the accuracy of the test as 16% subjects with normal lactose digestion and no H2-excretion were found to excrete CH4. These subjects should have been classified as subjects with lactose malabsorption or SIBO. In conclusion, measuring CH4-concentrations has an added value to the 13C/H2 breath test to identify methanogenic subjects with lactose malabsorption or SIBO. PMID:26371034

Studium acidobazických a elektrolytických vlastností hyaluronanu v roztoku

OpenAIRE

Suchá, Šárka

2015-01-01

Diplomová práce se zabývá studiem acidobazického a elektrolytického chování roztoků hyaluronanu při různé iontové síle. Acidobazické chování hyaluronanu bylo studováno pomocí acidobazických titrací, které byly prováděny dvěma různými způsoby, kyselou a zásaditou acidobazickou titrací. Z výsledků acidobazických titrací byly vyhodnocovány disociační konstanty při různé iontové síle při nulovém stupni disociace a při 50% stupni disociace. Výsledné disociační konstanty získané z kyselých acidobaz...

Assessing fugitive emissions of CH4 from high-pressure gas pipelines in the UK

Science.gov (United States)

Clancy, S.; Worrall, F.; Davies, R. J.; Almond, S.; Boothroyd, I.

2016-12-01

Concern over the greenhouse gas impact of the exploitation of unconventional natural gas from shale deposits has caused a spotlight to be shone on to the entire hydrocarbon industry. Numerous studies have developed life-cycle emissions inventories to assess the impact that hydraulic fracturing has upon greenhouse gas emissions. Incorporated within life-cycle assessments are transmission and distribution losses, including infrastructure such as pipelines and compressor stations that pressurise natural gas for transport along pipelines. Estimates of fugitive emissions from transmission, storage and distribution have been criticized for reliance on old data from inappropriate sources (1970s Russian gas pipelines). In this study, we investigate fugitive emissions of CH4 from the UK high pressure national transmission system. The study took two approaches. Firstly, CH4 concentration is detected by driving along roads bisecting high pressure gas pipelines and also along an equivalent distance along a route where no high pressure gas pipeline was nearby. Five pipelines and five equivalent control routes were driven and the test was that CH4 measurements, when adjusted for distance and wind speed, should be greater on any route with a pipe than any route without a pipe. Secondly, 5 km of a high pressure gas pipeline and 5 km of equivalent farmland, were walked and soil gas (above the pipeline where present) was analysed every 7 m using a tunable diode laser. When wind adjusted 92 km of high pressure pipeline and 72 km of control route were drive over a 10 day period. When wind and distance adjusted CH4 fluxes were significantly greater on routes with a pipeline than those without. The smallest leak detectable was 3% above ambient (1.03 relative concentration) with any leaks below 3% above ambient assumed ambient. The number of leaks detected along the pipelines correlate to the estimated length of pipe joints, inferring that there are constant fugitive CH4 emissions from

Recent Developments in C-H Activation for Materials Science in the Center for Selective C-H Activation.

Science.gov (United States)

Zhang, Junxiang; Kang, Lauren J; Parker, Timothy C; Blakey, Simon B; Luscombe, Christine K; Marder, Seth R

2018-04-16

Abstract : Organic electronics is a rapidly growing field driven in large part by the synthesis of ∏-conjugated molecules and polymers. Traditional aryl cross-coupling reactions such as the Stille and Suzuki have been used extensively in the synthesis of ∏-conjugated molecules and polymers, but the synthesis of intermediates necessary for traditional cross-couplings can include multiple steps with toxic and hazardous reagents. Direct arylation through C-H bond activation has the potential to reduce the number of steps and hazards while being more atom-economical. Within the Center for Selective C-H Functionalization (CCHF), we have been developing C-H activation methodology for the synthesis of ∏-conjugated materials of interest, including direct arylation of difficult-to-functionalize electron acceptor intermediates and living polymerization of ∏-conjugated polymers through C-H activation.

Fiscal 2000 survey report. Feasibility study of reciprocative transportation system for carbon dioxide and natural gas utilizing gas hydrate; 2000 nendo gas hidrate wo riyosuru nisanka tanso to tennen gas no kogo yuso system no kanosei chosa hokokusho

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-03-01

A reciprocative CO2/CH{sub 4} transportation system will constitute a foundation on which minor gas fields may be made good use of in the Asia-Pacific region. For the construction of such a system, a survey is conducted into key technologies of separating CO2 from combustion exhaust with the aid of the hydrate process, reciprocative CO2/CH{sub 4} transportation with hydrate acting as medium, and subsurface CO2 storage and its utilization in minor gas fields or the like. The contents of the survey and the results fall in six areas, which are (1) the states of greenhouse gas reduction and natural gas utilization, (2) reciprocative CO2/CH{sub 4} transportation with hydrate acing as medium, (3) CO2 separation from combustion exhaust with the aid of the hydrate process, (4) reciprocative CO2/CH{sub 4} transportation with hydrate acing as medium, (5) subsurface CO2 storage and its utilization in minor gas fields, and (6) the establishment of a reciprocative CO2/CH{sub 4} transportation system and the evaluation of its cost performance. (NEDO)

[(PhCH2O2P(CH32CHNCH(CH32]2PdCl2/CuI as Cocatalyst for Coupling-Cyclization of 2-Iodophenol with Terminal Alkynes in Water

Directory of Open Access Journals (Sweden)

Panli Jiang

2018-03-01

Full Text Available A new and efficient [(PhCH2O2P(CH32CHNCH(CH32]2PdCl2/CuI-co-catalyzed coupling-cyclization reactions of 2-iodophenol with terminal alkynes is described. Different 2-substitued benzo[b]furan derivatives are obtained in good to excellent yields. This protocol employs a relatively low palladium(II catalyst loading in water under air conditions.

The ChArMEx database

Science.gov (United States)

Ferré, Hélène; Belmahfoud, Nizar; Boichard, Jean-Luc; Brissebrat, Guillaume; Cloché, Sophie; Descloitres, Jacques; Fleury, Laurence; Focsa, Loredana; Henriot, Nicolas; Mière, Arnaud; Ramage, Karim; Vermeulen, Anne; Boulanger, Damien

2015-04-01

The Chemistry-Aerosol Mediterranean Experiment (ChArMEx, http://charmex.lsce.ipsl.fr/) aims at a scientific assessment of the present and future state of the atmospheric environment in the Mediterranean Basin, and of its impacts on the regional climate, air quality, and marine biogeochemistry. The project includes long term monitoring of environmental parameters , intensive field campaigns, use of satellite data and modelling studies. Therefore ChARMEx scientists produce and need to access a wide diversity of data. In this context, the objective of the database task is to organize data management, distribution system and services, such as facilitating the exchange of information and stimulating the collaboration between researchers within the ChArMEx community, and beyond. The database relies on a strong collaboration between ICARE, IPSL and OMP data centers and has been set up in the framework of the Mediterranean Integrated Studies at Regional And Locals Scales (MISTRALS) program data portal. ChArMEx data, either produced or used by the project, are documented and accessible through the database website: http://mistrals.sedoo.fr/ChArMEx. The website offers the usual but user-friendly functionalities: data catalog, user registration procedure, search tool to select and access data... The metadata (data description) are standardized, and comply with international standards (ISO 19115-19139; INSPIRE European Directive; Global Change Master Directory Thesaurus). A Digital Object Identifier (DOI) assignement procedure allows to automatically register the datasets, in order to make them easier to access, cite, reuse and verify. At present, the ChArMEx database contains about 120 datasets, including more than 80 in situ datasets (2012, 2013 and 2014 summer campaigns, background monitoring station of Ersa...), 25 model output sets (dust model intercomparison, MEDCORDEX scenarios...), a high resolution emission inventory over the Mediterranean... Many in situ datasets

The CH/π hydrogen bond: Implication in chemistry

Science.gov (United States)

Nishio, M.

2012-06-01

The CH/π hydrogen bond is the weakest extreme of hydrogen bonds that occurs between a soft acid CH and a soft base π-system. Implication in chemistry of the CH/π hydrogen bond includes issues of conformation, crystal packing, and specificity in host/guest complexes. The result obtained by analyzing the Cambridge Structural Database is reviewed. The peculiar axial preference of isopropyl group in α-phellandrene and folded conformation of levopimaric acid have been explained in terms of the CH/π hydrogen bond, by high-level ab initio MO calculations. Implication of the CH/π hydrogen bond in structural biology is also discussed, briefly.

Electrochemical Cobalt-Catalyzed C-H Activation.

Science.gov (United States)

Sauermann, Nicolas; Meyer, Tjark H; Ackermann, Lutz

2018-06-19

Carbon-heteroatom bonds represent omnipresent structural motifs of the vast majority of functionalized materials and bioactive compounds. C-H activation has emerged as arguably the most efficient strategy to construct C-Het bonds. Despite of major advances, these C-H transformations were largely dominated by precious transition metal catalysts, in combination with stoichiometric, toxic metal oxidants. Herein, we discuss the recent evolution of cobalt-catalyzed C-H activations that enable C-Het formations with electricity as the sole sustainable oxidant until May 2018. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Solution-Grown Monocrystalline Hybrid Perovskite Films for Hole-Transporter-Free Solar Cells

KAUST Repository

Peng, Wei

2016-03-02

High-quality perovskite monocrystalline films are successfully grown through cavitation-triggered asymmetric crystallization. These films enable a simple cell structure, ITO/CH3NH3PbBr3/Au, with near 100% internal quantum efficiency, promising power conversion efficiencies (PCEs) >5%, and superior stability for prototype cells. Furthermore, the monocrystalline devices using a hole-transporter-free structure yield PCEs ≈6.5%, the highest among other similar-structured CH3NH3PbBr3 solar cells to date.

Effect of antisymmetric C–H stretching excitation on the dynamics of O({sup 1}D) + CH{sub 4} → OH + CH{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Pan, Huilin; Yang, Jiayue; Zhang, Dong; Shuai, Quan; Jiang, Bo [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Dai, Dongxu; Wu, Guorong, E-mail: wugr@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn; Yang, Xueming, E-mail: wugr@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2014-04-21

The effect of antisymmetric C–H stretching excitation of CH{sub 4} on the dynamics and reactivity of the O({sup 1}D) + CH{sub 4} → OH + CD{sub 3} reaction at the collision energy of 6.10 kcal/mol has been investigated using the crossed-beam and time-sliced velocity map imaging techniques. The antisymmetric C–H stretching mode excited CH{sub 4} molecule was prepared by direct infrared excitation. From the measured images of the CH{sub 3} products with the infrared laser on and off, the product translational energy and angular distributions were derived for both the ground and vibrationally excited reactions. Experimental results show that the vibrational energy of the antisymmetric stretching excited CH{sub 4} reagent is channeled exclusively into the vibrational energy of the OH co-products and, hence, the OH products from the excited-state reaction are about one vibrational quantum hotter than those from the ground-state reaction, and the product angular distributions are barely affected by the vibrational excitation of the CH{sub 4} reagent. The reactivity was found to be suppressed by the antisymmetric stretching excitation of CH{sub 4} for all observed CH{sub 3} vibrational states. The degree of suppression is different for different CH{sub 3} vibrational states: the suppression is about 40%–60% for the ground state and the umbrella mode excited CH{sub 3} products, while for the CH{sub 3} products with one quantum symmetric stretching mode excitation, the suppression is much less pronounced. In consequence, the vibrational state distribution of the CH{sub 3} product from the excited-state reaction is considerably different from that of the ground-state reaction.

CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4: Infrared spectra, radiative efficiencies, and global warming potentials

International Nuclear Information System (INIS)

Wallington, Timothy J.; Pivesso, Bruno Pasquini; Lira, Alane Moura; Anderson, James E.; Nielsen, Claus Jørgen; Andersen, Niels Højmark; Hodnebrog, Øivind

2016-01-01

Infrared spectra for the title compounds were measured experimentally in 700 Torr of air at 295 K and systematically modeled in B3LYP, M06-2X and MP2 calculations employing various basis sets. Calibrated infrared spectra over the wavenumber range 600–3500 cm"−"1 are reported and combined with literature data to provide spectra for use in experimental studies and radiative transfer calculations. Integrated absorption cross sections are (units of cm"−"1 molecule"−"1): CH_3Cl, 660–780 cm"−"1, (3.89±0.19)×10"−"1"8; CH_2Cl_2, 650–800 cm"−"1, (2.16±0.11)×10"−"1"7; CHCl_3, 720–810 cm"−"1, (4.08±0.20)×10"−"1"7; and CCl_4, 730–825 cm"−"1, (6.30±0.31)×10"−"1"7. CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 have radiative efficiencies of 0.004, 0.028, 0.070, and 0.174 W m"−"2 ppb"−"1 and global warming potentials (100 year horizon) of 5, 8, 15, and 1775, respectively. Quantum chemistry calculations generally predict larger band intensities than the experimental values. The best agreement with experiments is obtained in MP2(Full) calculations employing basis sets of at least triple-zeta quality augmented by diffuse functions. The B3LYP functional is found ill-suited for calculating vibrational frequencies and infrared intensities of halocarbons. - Highlights: • Infrared spectra reported for CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4. • REs of CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 are 0.004, 0.028, 0.070, and 0.174 W m"−"2 ppb"−"1, respectively. • GWPs of CH_3Cl, CH_2Cl_2, CHCl_3, and CCl_4 are 5, 8, 15, and 1775, respectively.

Rate Coefficient Measurements of the Reaction CH3 + O2 = CH3O + O

Science.gov (United States)

Hwang, S. M.; Ryu, Si-Ok; DeWitt, K. J.; Rabinowitz, M. J.

1999-01-01

Rate coefficients for the reaction CH3 + O2 = CH3O + O were measured behind reflected shock waves in a series of lean CH4-O2-Ar mixtures using hydroxyl and methyl radical diagnostics. The rate coefficients are well represented by an Arrhenius expression given as k = (1.60(sup +0.67, sub -0.47 ) x 10(exp 13) e(-15813 +/- 587 K/T)/cubic cm.mol.s. This expression, which is valid in the temperature range 1575-1822 K, supports the downward trend in the rate coefficients that has been reported in recent determinations. All measurements to date, including the present study, have been to some extent affected by secondary reactions. The complications due to secondary reactions, choice of thermochemical data, and shock-boundary layer interactions that affect the determination of the rate coefficients are examined.

Rate Coefficient Measurements of the Reaction CH3+O2+CH3O+O

Science.gov (United States)

Hwang, S. M.; Ryu, Si-Ok; DeWitt, K. J.; Rabinowitz, M. J.

1999-01-01

Rate coefficients for the reaction CH3 + O2 = CH3O + O were measured behind reflected shock waves in a series of lean CH4-O2-Ar mixtures using hydroxyl and methyl radical diagnostics. The rate coefficients are well represented by an Arrhenius expression given as k = (1.60(sup +0.67, -0.47)) X 10(exp 13) exp(- 15813 +/- 587 K/T)cc/mol s. This expression, which is valid in the temperature range 1575-1822 K, supports the downward trend in the rate coefficients that has been reported in recent determinations. All measurements to date, including the present study, have been to some extent affected by secondary reactions. The complications due to secondary reactions, choice of thermochemical data, and shock-boundary layer interactions that affect the determination of the rate coefficients are examined.

Ion yields of laser aligned CH3I and CH3Br from multiple orbitals

NARCIS (Netherlands)

He, Lanhai; Pan, Yun; Yang, Yujun; Luo, Sizuo; Lu, Chunjing; Zhao, Huifang; Li, Dongxu; Song, Lele; Stolte, Steven; Ding, Dajun; Roeterdink, Wim G.

2016-01-01

We have measured the alignment influence on ion yields of CH3I and CH3Br molecules in the laser intensity regime from 1013 W/cm2 to 1015 W/cm2. The hexapole state-selection technique combined with laser induced alignment has been employed to obtain aligned (〈P2(cosθ)〉=0.7) and anti-aligned

Electron energy loss spectroscopy of CH3N2CH3 adsorbed on Ni(100), Ni(111), Cr(100), Cr(111)

International Nuclear Information System (INIS)

Schulz, M.A.

1985-07-01

A study of the adsorption of CH 3 N 2 CH 3 on Ni(100), Ni(111), Cr(100), and Cr(111) using high resolution electron energy loss spectroscopy (EELS) is presented. Under approximately the same conditions of coverage, the vibrational spectra of CH 3 N 2 CH 3 on these four surfaces are quite distinct from one another, implying that the CH 3 N 2 CH 3 -substrate interaction is very sensitive to the physical and electronic structure of each surface. In addition to the room temperature studies, the evolution of surface species on the Ni(100) surface in the temperature range 300 to 425 K was studied. Analysis of the Ni(100) spectra indicates that molecular adsorption, probably through the N lone pair, occurs at room temperature. Spectra taken after annealing the CH 3 N 2 CH 3 -Ni(100) surfaces indicate that CH and CN bond scission occurred at the elevated temperatures. Decomposition of CH 3 N 2 CH 3 takes place on the Ni(111), Cr(100), and Cr(111) surfaces at room temperature, as evidenced by the intensity of the carbon-metal stretch in the corresponding spectra. Possible identities of coadsorbed dissociation products are considered. The stable coverage of surface species on all four surfaces at 300 K is less than one monolayer. A general description of an electron energy loss (EEL) spectrometer is given. Followed by a more specific discussion of some recent modifications to the EEL monochromator assembly used in this laboratory. Both the previous configuration of our monochromator and the new version are briefly described, as an aid to understanding the motivation for the changes as well as the differences in operation of the two versions. For clarity, the new monochromator design is referred to as variable pass, while the previous design is referred to as double pass. A modified tuning procedure for the new monochromator is also presented. 58 refs., 11 figs

Ultrasonic irradiation-promoted one-pot synthesis of CH3NH3PbBr3 quantum dots without using flammable CH3NH2 precursor

Science.gov (United States)

Jiang, Han; Wang, Chunlei; Lv, Changgui; Xu, Shuhong; Zhu, Li; Zhang, Ruohu; Cui, Yiping

2017-02-01

At present, the CH3NH3PbBr3 quantum dots (QDs) reported in the literature usually contain two synthesis steps: the initial preparation of CH3NH3Br via the reaction of flammable CH3NH2 and HBr, together with the subsequent formation of CH3NH3PbBr3 QDs. To avoid the use of dangerous CH3NH2, this work develops a novel one-pot method for synthesizing CH3NH3PbBr3 QDs using safe and commercially available reactants (CH3NH3Cl, KBr and PbCl2). It is found that ultrasonic treatment plays a key role during the synthesis of CH3NH3PbBr3 QDs. Without ultrasonic irradiation, it is not possible to synthesize CH3NH3PbBr3 QDs under heating or vigorous stirring. Aliquots of samples taken at different ultrasonic irradiation time intervals show a time-dependent redshift in the emission wavelength. This suggests the formation of CH3NH3PbCl3 QDs first, followed by the formation of CH3NH3PbBr3 QDs through ultrasonically promoted halide exchange. Moreover, mixed CH3NH3PbCl x Br3-x QDs with a tunable emission wavelength can also be prepared through this one-pot method by controlling the ultrasonic irradiation time. In comparison to the previous two-step method, the current one-pot method is simpler, less time-consuming and does not use flammable CH3NH2. The as-prepared CH3NH3PbBr3 QDs show a comparable photoluminescence (PL) quantum yield (QY) to that of the literature. What is more, the ultrasonic time-controlled emission wavelength of CH3NH3PbCl x Br3-x QDs also provides an alternative way of tuning QD emission to the traditional way of controlling the halide ratios.

Thermodynamic and hydrochemical controls on CH4 in a coal seam gas and overlying alluvial aquifer: new insights into CH4 origins

OpenAIRE

Owen, D. Des. R.; Shouakar-Stash, O.; Morgenstern, U.; Aravena, R.

2016-01-01

Using a comprehensive data set (dissolved CH4, ?13C-CH4, ?2H-CH4, ?13C-DIC, ?37Cl, ?2H-H2O, ?18O-H2O, Na, K, Ca, Mg, HCO3, Cl, Br, SO4, NO3 and DO), in combination with a novel application of isometric log ratios, this study describes hydrochemical and thermodynamic controls on dissolved CH4 from a coal seam gas reservoir and an alluvial aquifer in the Condamine catchment, eastern Surat/north-western Clarence-Moreton basins, Australia. ?13C-CH4 data in the gas reservoir (?58? to ?49?) and sha...

Some health aspects of high-energy society

International Nuclear Information System (INIS)

Cook, E.

1975-01-01

The intensive use of inanimate energy in industrialized or high-energy society has subsidized research, development, and higher education and has brought about changes in nutrition and life-style that have led to great advances in public health and medicine. The emergence of high-energy society, however, has brought with it a new set of health problems, within which the direct effects of measurable pollution may turn out to be more easily dealt with than some of the indirect and hard-to-calculate consequences of high energy use. High-energy society is critically dependent on energy-intensive transport systems, and these systems in turn are dependent upon a continual supply of petroleum products. In the short-term, the aorta of any industrialized nation is its petroleum-supply network. In the longer run, high-energy society faces the depletion and exhaustion of all the nonrenewable resources on which it has fed. Even if technology provides adequate substitute energy systems, high-energy society may deteriorate socially from inability to cope with affluence

Radiative forcing calculations for CH3Br

International Nuclear Information System (INIS)

Grossman, A.S.; Blass, W.E.; Wuebbles, D.J.

1995-06-01

Methyl Bromide, CH 3 Br, is the major organobromine species in the lower atmosphere and is a primary source of bromine in the stratosphere. It has a lifetime of 1.3 years. The IR methyl bromide spectra in the atmospheric window region, 7--13μ, was determined using a well tested Coriolis resonance and ell-doubling (and ell-resonance) computational system. A radiative forcing value of 0.00493 W/m 2 /ppbv was obtained for CH 3 Br and is approximately linear in the background abundance. This value is about 2 percent of the forcing of CFC-11 and about 278 times the forcing of C0 2 , on a per molecule basis. The radiative forcing calculation is used to estimate the global warming potential (GWP) of CH 3 Br. The results give GWPs for CH 3 Br of the order of 13 for an integration period of 20 years and 4 for an integration period of 100 years (assuming C0 2 = 1, following IPCC [1994]). While CH 3 Br has a GWP which is approximately 25 percent of the GWP of CH 4 , the current emission rates are too low to cause serious atmospheric greenhouse heating effects at this time

The ChIP-Seq tools and web server: a resource for analyzing ChIP-seq and other types of genomic data.

Science.gov (United States)

Ambrosini, Giovanna; Dreos, René; Kumar, Sunil; Bucher, Philipp

2016-11-18

ChIP-seq and related high-throughput chromatin profilig assays generate ever increasing volumes of highly valuable biological data. To make sense out of it, biologists need versatile, efficient and user-friendly tools for access, visualization and itegrative analysis of such data. Here we present the ChIP-Seq command line tools and web server, implementing basic algorithms for ChIP-seq data analysis starting with a read alignment file. The tools are optimized for memory-efficiency and speed thus allowing for processing of large data volumes on inexpensive hardware. The web interface provides access to a large database of public data. The ChIP-Seq tools have a modular and interoperable design in that the output from one application can serve as input to another one. Complex and innovative tasks can thus be achieved by running several tools in a cascade. The various ChIP-Seq command line tools and web services either complement or compare favorably to related bioinformatics resources in terms of computational efficiency, ease of access to public data and interoperability with other web-based tools. The ChIP-Seq server is accessible at http://ccg.vital-it.ch/chipseq/ .

Problematika zálohování a uchovávání dat v malých a středních podnicích

OpenAIRE

Hrach, Vlastimil

2009-01-01

Tato bakalářská práce upozorňuje na hojně opomíjenou důležitost firemních dat a jejich ochranu. Seznamuje s procesem zálohování jako základním prvkem bezpečnosti a efektivnosti informačního systému. Prezentuje výsledky mezinárodních studií na téma „Cena ztracených dat“, popisuje technologie diskových polí RAID, obecnou topologii LAN sítí a technologie DAS, NAS a SAN. Součástí práce jsou základní i pokročilé metody zálohování vhodné pro malé a střední podniky, v závislosti na jejich potřebě a ...

Kadurumba, CH

African Journals Online (AJOL)

Kadurumba, CH. Vol 33, No 3 (2014) - Research papers. Kinematics and Dynamic Evaluation of the Screw Conveyor of a Cassava Centrifuge Dewatering Machine Abstract PDF · Vol 33, No 3 (2014) - Research papers. Performance Optimization of a Cassava Pelleting Machine Abstract PDF. ISSN: 2467-8821. AJOL African ...

ChLae1 and ChVel1 regulate T-toxin production, virulence, oxidative stress response, and development of the maize pathogen Cochliobolus heterostrophus.

Directory of Open Access Journals (Sweden)

Dongliang Wu

2012-02-01

Full Text Available LaeA and VeA coordinate secondary metabolism and differentiation in response to light signals in Aspergillus spp. Their orthologs, ChLae1 and ChVel1, were identified in the maize pathogen Cochliobolus heterostrophus, known to produce a wealth of secondary metabolites, including the host selective toxin, T-toxin. Produced by race T, T-toxin promotes high virulence to maize carrying Texas male sterile cytoplasm (T-cms. T-toxin production is significantly increased in the dark in wild type (WT, whereas Chvel1 and Chlae1 mutant toxin levels are much reduced in the dark compared to WT. Correspondingly, expression of T-toxin biosynthetic genes (Tox1 is up-regulated in the dark in WT, while dark-induced expression is much reduced/minimal in Chvel1 and Chlae1 mutants. Toxin production and Tox1 gene expression are increased in ChVEL1 overexpression (OE strains grown in the dark and in ChLAE1 strains grown in either light or dark, compared to WT. These observations establish ChLae1 and ChVel1 as the first factors known to regulate host selective toxin production. Virulence of Chlae1 and Chvel1 mutants and OE strains is altered on both T-cms and normal cytoplasm maize, indicating that both T-toxin mediated super virulence and basic pathogenic ability are affected. Deletion of ChLAE1 or ChVEL1 reduces tolerance to H(2O(2. Expression of CAT3, one of the three catalase genes, is reduced in the Chvel1 mutant. Chlae1 and Chvel1 mutants also show decreased aerial hyphal growth, increased asexual sporulation and female sterility. ChLAE1 OE strains are female sterile, while ChVEL1 OE strains are more fertile than WT. ChLae1 and ChVel1 repress expression of 1,8-dihydroxynaphthalene (DHN melanin biosynthesis genes, and, accordingly, melanization is enhanced in Chlae1 and Chvel1 mutants, and reduced in OE strains. Thus, ChLae1 and ChVel1 positively regulate T-toxin biosynthesis, pathogenicity and super virulence, oxidative stress responses, sexual development, and

Urban transport, the environment and the network society

DEFF Research Database (Denmark)

Hansen, Carsten Jahn

2005-01-01

Based on the conclusions of a completed Ph.D. thesis and post doctoral research activities, this paper describes and analyses environmental objectives and strategies have materialised in three cases of local transport policy making and planning; in the urban areas of Lund (Sweden), Groningen (The...... succeeded over conventional and more hierarchical ways of public policymaking. As such, these cases offer illuminating examples of collaborative dialogue, expressed through networks in which argumentative approaches and increased reflexivity about the ´rules of the game´ have been central elements. Finally...

High Resolution CH4 Emissions and Dissolved CH4 Measurements Elucidate Surface Gas Exchange Processes in Toolik Lake, Arctic Alaska

Science.gov (United States)

Del Sontro, T.; Sollberger, S.; Kling, G. W.; Shaver, G. R.; Eugster, W.

2013-12-01

Approximately 14% of the Alaskan North Slope is covered in lakes of various sizes and depths. Diffusive carbon emissions (CH4 and CO2) from these lakes offset the tundra sink by ~20 %, but the offset would substantially increase if ebullitive CH4 emissions were also considered. Ultimately, arctic lake CH4 emissions are not insignificant in the global CH4 budget and their contribution is bound to increase due to impacts from climate change. Here we present high resolution CH4 emission data as measured via eddy covariance and a Los Gatos gas analyzer during the ice free period from Toolik Lake, a deep (20 m) Arctic lake located on the Alaskan North Slope, over the last few summers. Emissions are relatively low (Gatos gas analyzer. Thus, having both the flux and the CH4 gradient across the air-water interface measured directly, we can calculate k and investigate the processes influencing CH4 gas exchange in this lake. Preliminary results indicate that there are two regimes in wind speed that impact k - one at low wind speeds up to ~5 m s-1 and another at higher wind speeds (max ~10 m s-1). The differential wind speeds during night and day may compound the effect of convective mixing and cause the diurnal variation in observed fluxes.

Effect of the Amide Bond Diamine Structure on the CO 2 , H 2 S, and CH 4 Transport Properties of a Series of Novel 6FDA-Based Polyamide–Imides for Natural Gas Purification

KAUST Repository

Vaughn, J.

2012-09-11

A series of higher permeability polyamide-imides based on 2,2′-bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydride with comparable plasticization resistance to Torlon were synthesized and formed into dense film membranes. Polymers possessing 2,4-diamino mesitylene (DAM) were stable up to 56 atm of pure CO 2, which is due to enhanced charge transfer complex formation compared to polymers containing 4,4′- (hexafluoroisopropylidene) dianiline (6FpDA) and 2,3,5,6-tetramethyl-1,4- phenylenediamine (TmPDA). The new polymers containing DAM and TmPDA showed ideal CO 2/CH 4 selectivities of near 50 with CO 2 and H 2S permeabilities over an order of magnitude higher than Torlon. CO 2 and CH 4 sorption in the DAM- and TmPDA-based materials was reduced, whereas H 2S sorption was enhanced relative to membranes containing fluorinated 6FpDA. Consequently, DAM- and TmPDA-based membranes showed increased stability toward high pressure CO 2 but lower plasticization resistance toward pure H 2S. These results highlight the differences between CO 2 and H 2S that challenge the rational design of materials targeting simultaneous separation of both contaminants. © 2012 American Chemical Society.

The Extent of CH4 Emission and Oxidation in Thermogenic and Biogenic Gas Hydrate Environments

Science.gov (United States)

Kastner, M.; Solem, C.; Bartlett, D.; MacDonald, I.; Valentine, D.

2003-12-01

The role of methane hydrate in the global methane budget is poorly understood, because relatively little is known about the transport of gaseous and dissolved methane through the seafloor into the ocean, from the water column into the atmosphere, and the extent of water-column methanotrophy that occurs en route. We characterize the transport and consumption of methane in three distinct gas hydrate environments, spanning the spectrum of thermogenic and biogenic methane occurrences: Bush Hill in the Gulf of Mexico, Eel River off the coast of Northern California, and the Noth and South Hydrate Ridges on the Cascadia Oregon margin. At all the sites studied a significant enrichment in δ 13CH4 with distance along isopycnals away from the methane source is observed, indicative of extensive aerobic bacterial methane oxidation in the water column. The effects of this process are principally pronounced in the mostly biogenic methane setting, with δ 13C-CH4 measured as high as -12 permil (PDB) between North and South Hydrate Ridge. The δ 13C-CH4 values ranged from -12 to -67 permil at Hydrate Ridge, -34 to -52 permil at Eel River, and -41 to -49 permil at Bush Hill. The large variation in methane carbon isotope ranges between the sites suggest that major differences exist in both the rates of aerobic methane oxidation and system openness at the studied locations. A mean kinetic isotope fractionation factor is being determined using a closed-system Rayleigh distillation model. An approximate regional methane flux from the ocean into the atmosphere is being estimated for the Gulf of Mexico, by extrapolation of the flux value from the Bush Hill methane plume over 390 plume locations having persistent oil slicks on the ocean surface, mapped by time series satellite data.

In-situ studies of microbial CH{sub 4} oxidation efficiency in Arctic wetland soils. Applications of stable carbon isotopes

Energy Technology Data Exchange (ETDEWEB)

Preuss, Inken-Marie

2013-07-05

Arctic wetland soils are significant sources of the climate-relevant trace gas methane (CH{sub 4}). The observed accelerated warming of the Arctic is expected to cause deeper permafrost thawing followed by increased carbon mineralization and CH{sub 4} formation in water-saturated permafrost-affected tundra soils thus creating a positive feedback to climate change. Aerobic CH{sub 4} oxidation is regarded as the key process reducing CH{sub 4} emissions from wetlands, but quantification of turnover rates has remained difficult so far. This study improved the in-situ quantification of microbial CH{sub 4} oxidation efficiency in arctic wetland soils in Russia's Lena River Delta based on stable isotope signatures of CH{sub 4}. In addition to the common practice of determining the stable isotope fractionation during oxidation, additionally the fractionation effect of diffusion, an important gas transport mechanism in tundra soils, was investigated for both saturated and unsaturated conditions. The isotopic fractionation factors α{sub ox} and α{sub diff} were used to calculate the CH{sub 4} oxidation efficiency from the CH{sub 4} stable isotope signatures of wet polygonal tundra soils of different hydrology. Further, the method was used to study the short-term effects of temperature increase with a climate manipulation experiment. For the first time, the stable isotope fractionation of CH{sub 4} diffusion through water-saturated soils was determined with α{sub diff} = 1.001 ± 0.0002 (n = 3). CH{sub 4} stable isotope fractionation during diffusion through air-filled pores of the investigated polygonal tundra soils was α{sub diff} = 1.013 ± 0.003 (n = 18). For the studied sites the fractionation factor for diffusion under saturated conditions α{sub diff} = 1.001 seems to be of utmost importance for the quantification of the CH{sub 4} oxidation efficiency, since most of the CH{sub 4} is oxidized in the saturated part at the aerobic-anaerobic interface. Furthermore

Parallel factor ChIP provides essential internal control for quantitative differential ChIP-seq.

Science.gov (United States)

Guertin, Michael J; Cullen, Amy E; Markowetz, Florian; Holding, Andrew N

2018-04-17

A key challenge in quantitative ChIP combined with high-throughput sequencing (ChIP-seq) is the normalization of data in the presence of genome-wide changes in occupancy. Analysis-based normalization methods were developed for transcriptomic data and these are dependent on the underlying assumption that total transcription does not change between conditions. For genome-wide changes in transcription factor (TF) binding, these assumptions do not hold true. The challenges in normalization are confounded by experimental variability during sample preparation, processing and recovery. We present a novel normalization strategy utilizing an internal standard of unchanged peaks for reference. Our method can be readily applied to monitor genome-wide changes by ChIP-seq that are otherwise lost or misrepresented through analytical normalization. We compare our approach to normalization by total read depth and two alternative methods that utilize external experimental controls to study TF binding. We successfully resolve the key challenges in quantitative ChIP-seq analysis and demonstrate its application by monitoring the loss of Estrogen Receptor-alpha (ER) binding upon fulvestrant treatment, ER binding in response to estrodiol, ER mediated change in H4K12 acetylation and profiling ER binding in patient-derived xenographs. This is supported by an adaptable pipeline to normalize and quantify differential TF binding genome-wide and generate metrics for differential binding at individual sites.

The vestibulo- and preposito-cerebellar cholinergic neurons of a ChAT-tdTomato transgenic rat exhibit heterogeneous firing properties and the expression of various neurotransmitter receptors.

Science.gov (United States)

Zhang, Yue; Kaneko, Ryosuke; Yanagawa, Yuchio; Saito, Yasuhiko

2014-04-01

Cerebellar function is regulated by cholinergic mossy fiber inputs that are primarily derived from the medial vestibular nucleus (MVN) and prepositus hypoglossi nucleus (PHN). In contrast to the growing evidence surrounding cholinergic transmission and its functional significance in the cerebellum, the intrinsic and synaptic properties of cholinergic projection neurons (ChPNs) have not been clarified. In this study, we generated choline acetyltransferase (ChAT)-tdTomato transgenic rats, which specifically express the fluorescent protein tdTomato in cholinergic neurons, and used them to investigate the response properties of ChPNs identified via retrograde labeling using whole-cell recordings in brainstem slices. In response to current pulses, ChPNs exhibited two afterhyperpolarisation (AHP) profiles and three firing patterns; the predominant AHP and firing properties differed between the MVN and PHN. Morphologically, the ChPNs were separated into two types based on their soma size and dendritic extensions. Analyses of the firing responses to time-varying sinusoidal current stimuli revealed that ChPNs exhibited different firing modes depending on the input frequencies. The maximum frequencies in which each firing mode was observed were different between the neurons that exhibited distinct firing patterns. Analyses of the current responses to the application of neurotransmitter receptor agonists revealed that the ChPNs expressed (i) AMPA- and NMDA-type glutamate receptors, (ii) GABAA and glycine receptors, and (iii) muscarinic and nicotinic acetylcholine receptors. The current responses mediated by these receptors of MVN ChPNs were not different from those of PHN ChPNs. These findings suggest that ChPNs receive various synaptic inputs and encode those inputs appropriately across different frequencies. © 2014 Federation of European Neuroscience Societies and John Wiley & Sons Ltd.

ChIPnorm: a statistical method for normalizing and identifying differential regions in histone modification ChIP-seq libraries.

Science.gov (United States)

Nair, Nishanth Ulhas; Sahu, Avinash Das; Bucher, Philipp; Moret, Bernard M E

2012-01-01

The advent of high-throughput technologies such as ChIP-seq has made possible the study of histone modifications. A problem of particular interest is the identification of regions of the genome where different cell types from the same organism exhibit different patterns of histone enrichment. This problem turns out to be surprisingly difficult, even in simple pairwise comparisons, because of the significant level of noise in ChIP-seq data. In this paper we propose a two-stage statistical method, called ChIPnorm, to normalize ChIP-seq data, and to find differential regions in the genome, given two libraries of histone modifications of different cell types. We show that the ChIPnorm method removes most of the noise and bias in the data and outperforms other normalization methods. We correlate the histone marks with gene expression data and confirm that histone modifications H3K27me3 and H3K4me3 act as respectively a repressor and an activator of genes. Compared to what was previously reported in the literature, we find that a substantially higher fraction of bivalent marks in ES cells for H3K27me3 and H3K4me3 move into a K27-only state. We find that most of the promoter regions in protein-coding genes have differential histone-modification sites. The software for this work can be downloaded from http://lcbb.epfl.ch/software.html.

CH2 - Lighting and Physiology

Directory of Open Access Journals (Sweden)

Sergio Altomonte

2012-11-01

Full Text Available This paper explains the designed performances of the new CH2 building in Melbourne, Australia. CH2 is an environmentally significant project that involves biomimicry of natural systems to produce indoor conditions that are conducive to user comfort, health and productivity. This paper focuses on lighting and physiology and examines the solutions chosen for artificial and natural lighting and the likely effects these will have on building occupants. The purpose of the paper is to critically comment on the adopted strategy and, cognisance of contemporary thinking in lighting design, to judge the effectiveness of this aspect of the project with a view to later verification and post-occupancy review. The paper concludes that CH2 is an exemplar of lighting innovation that provides valuable lessons to designers of office buildings, particularly in the Melbourne CSD.

General allylic C-H alkylation with tertiary nucleophiles.

Science.gov (United States)

Howell, Jennifer M; Liu, Wei; Young, Andrew J; White, M Christina

2014-04-16

A general method for intermolecular allylic C-H alkylation of terminal olefins with tertiary nucleophiles has been accomplished employing palladium(II)/bis(sulfoxide) catalysis. Allylic C-H alkylation furnishes products in good yields (avg. 64%) with excellent regio- and stereoselectivity (>20:1 linear:branched, >20:1 E:Z). For the first time, the olefin scope encompasses unactivated aliphatic olefins as well as activated aromatic/heteroaromatic olefins and 1,4-dienes. The ease of appending allyl moieties onto complex scaffolds is leveraged to enable this mild and selective allylic C-H alkylation to rapidly diversify phenolic natural products. The tertiary nucleophile scope is broad and includes latent functionality for further elaboration (e.g., aliphatic alcohols, α,β-unsaturated esters). The opportunities to effect synthetic streamlining with such general C-H reactivity are illustrated in an allylic C-H alkylation/Diels-Alder reaction cascade: a reactive diene is generated via intermolecular allylic C-H alkylation and approximated to a dienophile contained within the tertiary nucleophile to furnish a common tricyclic core found in the class I galbulimima alkaloids.

Mapping pan-Arctic CH4 emissions using an adjoint method by integrating process-based wetland and lake biogeochemical models and atmospheric CH4 concentrations

Science.gov (United States)

Tan, Z.; Zhuang, Q.; Henze, D. K.; Frankenberg, C.; Dlugokencky, E. J.; Sweeney, C.; Turner, A. J.

2015-12-01

Understanding CH4 emissions from wetlands and lakes are critical for the estimation of Arctic carbon balance under fast warming climatic conditions. To date, our knowledge about these two CH4 sources is almost solely built on the upscaling of discontinuous measurements in limited areas to the whole region. Many studies indicated that, the controls of CH4 emissions from wetlands and lakes including soil moisture, lake morphology and substrate content and quality are notoriously heterogeneous, thus the accuracy of those simple estimates could be questionable. Here we apply a high spatial resolution atmospheric inverse model (nested-grid GEOS-Chem Adjoint) over the Arctic by integrating SCIAMACHY and NOAA/ESRL CH4 measurements to constrain the CH4 emissions estimated with process-based wetland and lake biogeochemical models. Our modeling experiments using different wetland CH4 emission schemes and satellite and surface measurements show that the total amount of CH4 emitted from the Arctic wetlands is well constrained, but the spatial distribution of CH4 emissions is sensitive to priors. For CH4 emissions from lakes, our high-resolution inversion shows that the models overestimate CH4 emissions in Alaskan costal lowlands and East Siberian lowlands. Our study also indicates that the precision and coverage of measurements need to be improved to achieve more accurate high-resolution estimates.

Infrared Spectra and Structures of SiH{sub 2}-(CH{sub 2}){sub 2} and CH{sub 2}=CH-SiH{sub 3} Intermediates Prepared in Reactions of Laser-ablated Silicon Atoms with Ethane

Energy Technology Data Exchange (ETDEWEB)

Cho, Han-Gook [Incheon National University, Incheon (Korea, Republic of); Andrews, Lester [University of Virginia, Charlottesville (United States)

2016-03-15

SiH{sub 2}-(CH{sub 2}){sub 2} and CH{sub 2}=CH-SiH{sub 3} were observed in the matrix IR spectra following reactions of laser-ablated Si atoms with ethane on the basis of correlation with computed frequencies. Evidently photon energy is required for the formation of the cyclic Si compound. These Si complexes are similar to the primary products in the previous studies of group 4 metals, in line with the previous results that s{sup 2}p{sup 2} and s{sup 2}d{sup 2} electronic configurations yield similar products. The relatively long C–C bond in the cyclic Si product reflects the structural strain, and the short C-Si and C-C bonds of CH{sub 3}CH=SiH{sub 2} and CH{sub 2}=CH-SiH{sub 3} show that they are true double bonds in line with the natural bond orders. Reactions of transition-metal atoms with small alkanes and halomethanes have been studied in a series of recent investigations. High oxidation-state products (methylidenes and methylidynes) along with insertion complexes were identified in the matrix spectra. It is interesting whether or not Si, a group 14 metalloid, undergoes similar reactions with larger hydrocarbons to provide higher oxidation-state compounds.

An analysis of Finnish skiing school students' academic education and athletic success [Analýza akademického vzdělání a sportovních úspěchů studentů finských lyžařských škol

Directory of Open Access Journals (Sweden)

Jan-Erik Romar

2012-03-01

�kolu, jelikož v místě svého bydliště mají špatné tréninkové podmínky; toto odloučení od domova však přináší množství problémů. CÍLE: Cílem této studie byla analýza akademického vzdělání a sportovních úspěchů studentů lyžařských škol ve Finsku. METODIKA: Výzkumu se zúčastnilo 49 studentů (15 dívek a 34 chlapců průměrného věku 17 let. Jednalo se o studenty tří lyžařských internátních škol, z nichž dvě byly zaměřené na běh na lyžích a jedna na alpské lyžování. Členy juniorského reprezentačního týmu bylo šedesát procent sjezdových lyžařů, avšak jen šest procent běžců na lyžích. Všichni účastníci vyplnili dotazník o studijních úspěších a sportovních výkonech. VÝSLEDKY: Výsledky ukázaly, že 80 % studentů si prodloužilo středoškolské studium ze tří na čtyři roky. Studenti byli přibližně z 50 % spokojeni se svými akademickými úspěchy. Padesát čtyři procent sjezdových lyžařů a 15 % běžců na lyžích uvedlo, že největších sportovních úspěchů dosáhli v mezinárodních soutěžích. Téměř všichni studenti naznačili, že lyžařská škola jim pomohla zkombinovat sport a vzdělání. Ovšem pouze 40 % sjezdových lyžařů a 62 % běžců na lyžích bylo spokojeno se svými současnými sportovními úspěchy. Sedmdesát tři procent sjezdových lyžařů cítilo, že sportovní aktivity měly negativní vliv na jejich výsledky ve škole. Spokojenost se životem na lyžařských internátních školách byla podpořena sportovními úspěchy, dobrými tréninkovými možnostmi, kvalifikovanými trenéry a pozornými přáteli. ZÁVĚRY: Tyto výsledky podporují koncepci lyžařských škol a vyplývá z nich, že při spojení akademického vzdělání a sportovní kariéry je třeba zvážit mnoho věcí.

Exploring the crystallization landscape of cadmium bis(N-hydroxyethyl, N-isopropyldithiocarbamate), Cd[S{sub 2}CN(iPr)CH{sub 2}CH{sub 2}OH]{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Tan, Yee Seng; Halim, Siti Nadiah Abdul [Malaya Univ., Kuala Lumpur (Malaysia). Dept. of Chemistry; Tiekink, Edward R.T. [Malaya Univ., Kuala Lumpur (Malaysia). Dept. of Chemistry; Sunway Univ., Bandar Sunway (Malaysia). Centre for Chemical Crystallography

2016-04-01

Crystallization of Cd[S{sub 2}CN(iPr)CH{sub 2}CH{sub 2}OH]{sub 2} from ethanol yields the coordination polymer [{Cd[S_2CN(iPr)CH_2CH_2OH]_2}.EtOH]{sub ∞} (1) within 3 h. When the solution is allowed to stand for another hour, the needles begin to dissolve and prisms emerge of the supramolecular isomer (SI), binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}.2EtOH (2). These have been fully characterized spectroscopically and by X-ray crystallography. Polymeric 1 has 2-fold symmetry and features dithiocarbamate ligands coordinating two octahedral Cd atoms in a μ{sub 2}κ{sup 2}-tridentate mode. Binuclear 2 is centrosymmetric with two ligands being μ{sub 2}κ{sup 2}-tridentate as for 1 but the other two being κ{sup 2}-chelating leading to square pyramidal geometries. The conversion of the kinetic crystallization product, 1, to thermodynamic 2 is irreversible but transformations mediated by recrystallization (ethanol and acetonitrile) to related literature SI species, namely coordination polymer [{Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 3}.MeCN]{sub ∞} and binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}.2H{sub 2}O.2MeCN, are demonstrated, some of which are reversible. Three other crystallization outcomes are described whereby crystal structures were obtained for the 1:2 co-crystal {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2}:2[3-(propan-2-yl)-1,3-oxazolidine-2-thione] (3), the salt co-crystal [iPrNH{sub 2}(CH{sub 2}CH{sub 2}OH)]{sub 4}[SO{sub 4}]{sub 2}{Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2} (4) and the salt [iPrNH{sub 2}(CH{sub 2}CH{sub 2}OH)]{Cd[S_2CN(iPr)CH_2CH_2OH]_3} (5). These arise as a result of decomposition/oxidation of the dithiocarbamate ligands. In each of 3 and 4 the binuclear {Cd[S_2CN(iPr)CH_2CH_2OH]_2}{sub 2} SI, as in 2, is observed strongly suggesting a thermodynamic preference for this form.

CH3NH3PbI3 grain growth and interfacial properties in meso-structured perovskite solar cells fabricated by two-step deposition

Science.gov (United States)

Yao, Zhibo; Wang, Wenli; Shen, Heping; Zhang, Ye; Luo, Qiang; Yin, Xuewen; Dai, Xuezeng; Li, Jianbao; Lin, Hong

2017-12-01

Although the two-step deposition (TSD) method is widely adopted for the high performance perovskite solar cells (PSCs), the CH3NH3PbI3 perovskite crystal growth mechanism during the TSD process and the photo-generated charge recombination dynamics in the mesoporous-TiO2 (mp-TiO2)/CH3NH3PbI3/hole transporting material (HTM) system remains unexploited. Herein, we modified the concentration of PbI2 (C(PbI2)) solution to control the perovskite crystal properties, and observed an abnormal CH3NH3PbI3 grain growth phenomenon atop mesoporous TiO2 film. To illustrate this abnormal grain growth mechanism, we propose that a grain ripening process is taking place during the transformation from PbI2 to CH3NH3PbI3, and discuss the PbI2 nuclei morphology, perovskite grain growing stage, as well as Pb:I atomic ratio difference among CH3NH3PbI3 grains with different morphology. These C(PbI2)-dependent perovskite morphologies resulted in varied charge carrier transfer properties throughout the mp-TiO2/CH3NH3PbI3/HTM hybrid, as illustrated by photoluminescence measurement. Furthermore, the effect of CH3NH3PbI3 morphology on light absorption and interfacial properties is investigated and correlated with the photovoltaic performance of PSCs.

The ChArMEx database

Science.gov (United States)

Ferré, Hélène; Descloitres, Jacques; Fleury, Laurence; Boichard, Jean-Luc; Brissebrat, Guillaume; Focsa, Loredana; Henriot, Nicolas; Mastrorillo, Laurence; Mière, Arnaud; Vermeulen, Anne

2013-04-01

The Chemistry-Aerosol Mediterranean Experiment (ChArMEx, http://charmex.lsce.ipsl.fr/) aims at a scientific assessment of the present and future state of the atmospheric environment in the Mediterranean Basin, and of its impacts on the regional climate, air quality, and marine biogeochemistry. The project includes long term monitoring of environmental parameters, intensive field campaigns, use of satellite data and modelling studies. Therefore ChARMEx scientists produce and need to access a wide diversity of data. In this context, the objective of the database task is to organize data management, distribution system and services such as facilitating the exchange of information and stimulating the collaboration between researchers within the ChArMEx community, and beyond. The database relies on a strong collaboration between OMP and ICARE data centres and falls within the scope of the Mediterranean Integrated Studies at Regional And Locals Scales (MISTRALS) program data portal. All the data produced by or of interest for the ChArMEx community will be documented in the data catalogue and accessible through the database website: http://mistrals.sedoo.fr/ChArMEx. The database website offers different tools: - A registration procedure which enables any scientist to accept the data policy and apply for a user database account. - Forms to document observations or products that will be provided to the database in compliance with metadata international standards (ISO 19115-19139; INSPIRE; Global Change Master Directory Thesaurus). - A search tool to browse the catalogue using thematic, geographic and/or temporal criteria. - Sorted lists of the datasets by thematic keywords, by measured parameters, by instruments or by platform type. - A shopping-cart web interface to order in situ data files. At present datasets from the background monitoring station of Ersa, Cape Corsica and from the 2012 ChArMEx pre-campaign are available. - A user-friendly access to satellite products

Gas Transport and Exchange through Wetland Plant Aerenchyma

DEFF Research Database (Denmark)

Sorrell, Brian Keith; Brix, Hans

2013-01-01

Aerenchyma, the large airspaces in aquatic plants, is a rapid gas transport pathway between atmosphere and soil in wetlands. Oxygen transport aerates belowground tissue and oxidizes rhizosphere soil, an important process in wetland biogeochemistry. Most plant O2 transport occurs by diffusion......, and the major challenge for its accurate measurement is avoiding disturbing small-scale gradients in O2 concentration and demand in the pathway. Small O2 sensors with rapid response times and high spatial resolution are the most popular methods for quantifying O2 transport and rhizosphere oxidation...... such as stirring of solutions. In some species, pressurized gas flows develop in shoots and rhizomes, and their contribution to gas fluxes can be assessed with pressure transducers and flow meters. Other gases produced in wetlands (e.g., CO2, CH4, and N2O) are also transported in aerenchyma. Their fluxes...

Measurements and Interpretation of Surface Mixing Ratios of CH4 and CO and δ 13C and δ D of CH4 in Air from Pacific Ocean Transects Between Auckland, New Zealand and Los Angeles, California

Science.gov (United States)

Ajie, H. O.; Tyler, S. C.; Gotoh, A. A.; McMillan, A. M.; Rice, A. L.; Lowe, D. C.

2003-12-01

We report on measurements of atmospheric CH4 and CO mixing ratios and δ 13C of CH4 from air samples collected every 2.5 to 5° latitude along a transect over the Pacific Ocean using container ships of P&O Nedlloyd (formerly Blue Star) shipping line. Data presented here begins in June 1996 and extends to January 2002. Scientists from the National Institute of Water and Atmospheric Research in New Zealand and from University of California, Irvine alternate sampling trips so that a transect between Auckland, New Zealand (35° S) and Los Angeles, California (35° N) can be sampled over a period of ˜15 days approximately every four months. Data sets from the two laboratories are intercalibrated through a sample exchange program. The data provide detail on the spatial and seasonal variation of CH4 and CO mixing ratios and stable isotope ratios of CH4 over the Pacific equatorial region, including the Intertropical Convergence Zone (ITCZ) and both northern and southern temperate zones to about 30° latitude, including the South Pacific Convergence Zone (SPCZ). Data from 18 transect samplings so far clearly show that δ 13C in the mid latitudes of both hemispheres are ˜6 months out of phase. In June, a minimum in δ 13C CH4 in the southern hemisphere (SH) coincides approximately with the maximum in the northern hemisphere (NH) seasonal cycle. Because the NH is less enriched in 13C than the SH this situation results in a remarkably flat gradient between 30° N and 30° S. In November the opposite situation occurs with the SH mid latitude maximum coinciding with the minimum in the NH cycle, leading to a relatively large gradient of ˜0.5‰ between the hemispheres. We discuss how CH4 and CO mixing ratios are related to the changing positions and strengths of the ITCZ and SPCZ and how this data can be used in multi-dimensional models of atmospheric chemistry and transport to better define CH4 sources and sinks both temporally and spatially.

Methanesulfonates of high-valent metals. Syntheses and structural features of MoO_2(CH_3SO_3)_2, UO_2(CH_3SO_3)_2, ReO_3(CH_3SO_3), VO(CH_3SO_3)_2, and V_2O_3(CH_3SO_3)_4 and their thermal decomposition under N_2 and O_2 atmosphere

International Nuclear Information System (INIS)

Betke, Ulf; Neuschulz, Kai; Wickleder, Mathias S.

2011-01-01

Oxide methanesulfonates of Mo, U, Re, and V have been prepared by reaction of MoO_3, UO_2(CH_3COO)_2.2 H_2O, Re_2O_7(H_2O)_2, and V_2O_5 with CH_3SO_3H or mixtures thereof with its anhydride. These compounds are the first examples of solvent-free oxide methanesulfonates of these elements. MoO_2(CH_3SO_3)_2 (Pbca, a=1487.05(4), b=752.55(2), c=1549.61(5) pm, V=1.73414(9) nm"3, Z=8) contains [MoO_2] moieties connected by [CH_3SO_3] ions to form layers parallel to (100). UO_2(CH_3SO_3)_2 (P2_1/c, a=1320.4(1), b=1014.41(6), c=1533.7(1) pm, β=112.80(1) "c"i"r"c"l"e, V=1.8937(3) nm"3, Z=8) consists of linear UO_2"2"+ ions coordinated by five [CH_3SO_3] ions, forming a layer structure. VO(CH_3SO_3)_2 (P2_1/c, a=1136.5(1), b=869.87(7), c=915.5(1) pm, β=113.66(1) "c"i"r"c"l"e, V=0.8290(2) nm"3, Z=4) contains [VO] units connected by methanesulfonate anions to form corrugated layers parallel to (100). In ReO_3(CH_3SO_3) (P anti 1, a=574.0(1), b=1279.6(3), c=1641.9(3) pm, α=102.08(2), β=96.11(2), γ=99.04(2) "c"i"r"c"l"e, V=1.1523(4) nm"3, Z=8) a chain structure exhibiting infinite O-[ReO_2]-O-[ReO_2]-O chains is formed. Each [ReO_2]-O-[ReO_2] unit is coordinated by two bidentate [CH_3SO_3] ions. V_2O_3(CH_3SO_3)_4 (I2/a, a=1645.2(3), b=583.1(1), c=1670.2(3) pm, β=102.58(3), V=1.5637(5) pm"3, Z=4) adopts a chain structure, too, but contains discrete [VO]-O-[VO] moieties, each coordinated by two bidentate [CH_3SO_3] ligands. Additional methanesulfonate ions connect the [V_2O_3] groups along [001]. Thermal decomposition of the compounds was monitored under N_2 and O_2 atmosphere by thermogravimetric/differential thermal analysis and XRD measurements. Under N_2 the decomposition proceeds with reduction of the metal leading to the oxides MoO_2, U_3O_7, V_4O_7, and VO_2; for MoO_2(CH_3SO_3)_2, a small amount of MoS_2 is formed. If the thermal decomposition is carried out in a atmosphere of O_2 the oxides MoO_3 and V_2O_5 are formed. (Copyright copyright 2011 WILEY-VCH Verlag

Probiotika v potravinových výrobcích

OpenAIRE

Silná, Renata

2016-01-01

Probiotika jsou živé mikroorganismy, které mají pozitivní zdravotní účinky na konzumenta, pokud jsou přidána v adekvátním množství do potraviny. Nejznámnější probiotika jsou bakterie mléčného kvašení a kvasinka Saccharomyces cerevisiae var. boulardii. Teoretická část bakalářské práce byla zaměřena na využití probiotických mikroorganismů v potravinářství. V experimentální části bakalářské práce byly připraveny hrubé lyzáty ze třech potravinářských výrobků a metodou PCR byla dokázána přítomnost...

Ir-catalyzed C-H silylations of phenyldeazapurines

Czech Academy of Sciences Publication Activity Database

Sabat, Nazarii; Poštová Slavětínská, Lenka; Hocek, Michal

2015-01-01

Roč. 56, č. 49 (2015), s. 6860-6862 ISSN 0040-4039 Institutional support: RVO:61388963 Keywords : C-H silylation * deazapurines * iridium catalysis * C-H activations Subject RIV: CC - Organic Chemistry Impact factor: 2.347, year: 2015

Electron transport measurements in methane using an improved pulsed Townsend technique

International Nuclear Information System (INIS)

Hunter, S.R.; Carter, J.G.; Christophorou, L.G.

1986-01-01

An improved pulsed Townsend technique for the measurement of electron transport parameters in gases is described. The accuracy and sensitivity of the technique have been investigated by performing, respectively, electron attachment coefficient measurements in pure O 2 over a wide range of E/N at selected O 2 pressures and by determining the electron attachment and ionization coefficients and electron drift velocity in CH 4 over a wide E/N range. Good agreement has been obtained between the present and the previously published electron attachment coefficients in O 2 and for the drift velocity measurements in CH 4 . The data on the electron attachment coefficient in CH 4 (measured for the first time) showed that with the present improved pulsed Townsend method, electron attachment coefficients up to 10 times smaller than the ionization coefficients at a given E/N value can be accurately measured. Our measurements of the electron attachment and ionization coefficients in CH 4 are in good agreement with a Boltzmann equation analysis of the electron gain and loss processes in CH 4 using published electron scattering cross sections for this molecule

Smáčivost povrchových úprav DPS

OpenAIRE

Minář, Jan

2016-01-01

Tato bakalářská práce se zabývá měřením smáčecích charakteristik pomocí metody smáčecích vah u vzorků různých povrchových úprav od firmy Gatema. Věnuje se vlivu izotermálního stárnutí a přetavovacích procesů na smáčecí charakteristiky povrchových úprav ENIG, bezolovnatý HAL a imerzní cín. U povrchové úpravy imerzním cínem je sledován vliv intermetalické vrstvy na celkovou smáčivost. Dále se zabývá smáčivostí vrstvy niklu, po odstripování zlata, u povrchové úpravy ENIG. This bachelor’s thes...

Influence of methane in CO2 transport and storage for CCS technology.

Science.gov (United States)

Blanco, Sofía T; Rivas, Clara; Fernández, Javier; Artal, Manuela; Velasco, Inmaculada

2012-12-04

CO(2) Capture and Storage (CCS) is a good strategy to mitigate levels of atmospheric greenhouse gases. The type and quantity of impurities influence the properties and behavior of the anthropogenic CO(2), and so must be considered in the design and operation of CCS technology facilities. Their study is necessary for CO(2) transport and storage, and to develop theoretical models for specific engineering applications to CCS technology. In this work we determined the influence of CH(4), an important impurity of anthropogenic CO(2), within different steps of CCS technology: transport, injection, and geological storage. For this, we obtained new pressure-density-temperature (PρT) and vapor-liquid equilibrium (VLE) experimental data for six CO(2) + CH(4) mixtures at compositions which represent emissions from the main sources in the European Union and United States. The P and T ranges studied are within those estimated for CO(2) pipelines and geological storage sites. From these data we evaluated the minimal pressures for transport, regarding the density and pipeline's capacity requirements, and values for the solubility parameter of the mixtures, a factor which governs the solubility of substances present in the reservoir before injection. We concluded that the presence of CH(4) reduces the storage capacity and increases the buoyancy of the CO(2) plume, which diminishes the efficiency of solubility and residual trapping of CO(2), and reduces the injectivity into geological formations.

ANALÝZA OXIDAČNÍCH PRODUKTŮ VYBRANÝCH BIO FLAVONOIDŮ

Czech Academy of Sciences Publication Activity Database

Sokolová, Romana; Degano, I.; Ramešová, Šárka; Kocábová, Jana; Fiedler, Jan; Tarábek, Ján

2016-01-01

Roč. 14, č. 5 (2016), s. 170-170 ISSN 0009-2770. [Sjezd chemických společností /68./. 04.09.2016-07.09.2016, Praha] Institutional support: RVO:61388955 ; RVO:61388963 Keywords : antioxidants * bio flavoides Subject RIV: CF - Physical ; Theoretical Chemistry

4-(2-Tetrathiafulvalenyl-ethenyl)pyridine (TTF-CH=CH-Py) radical cation salts containing poly(beta-diketonate) rare earth complexes: synthesis, crystal structure, photoluminescent and magnetic properties.

Science.gov (United States)

Pointillart, Fabrice; Maury, Olivier; Le Gal, Yann; Golhen, Stéphane; Cador, Olivier; Ouahab, Lahcène

2009-08-03

The reactions between the redox-active 4-(2-tetrathiafulvalenyl-ethenyl)pyridine ligand (TTF-CH=CH-Py) and the tris(1,1,1,5,5,5-hexafluoroacetylacetonate)Ln(III) (Ln = La and Nd) lead to the formation of compounds with the formulas {[La(hfac)(5)][(TTF-CH=CH-Py(*+))](2)} (1), {[Nd(hfac)(4)(H(2)O)][(TTF-CH=CH-Py(*+))]}(2) (2), and {[Nd(hfac)(4)(H(2)O)][(TTF-CH=CH-Py(*+))]}(2)(H(2)O)(C(6)H(14))(0.5) (3) (hfac(-) = 1,1,1,5,5,5-hexafluoroacetylacetonate anion). These compounds have been characterized by single-crystal X-ray diffraction, optical, and magnetic measurements. Compounds 1, 2, and 3 crystallize in the monoclinic C2/c, triclinic P1, and monoclinic P2(1)/c space groups, respectively. La(III) adopts a tetradecahedral geometry, while Nd(III) stands in a distorted capped square antiprism one. In 1, the inorganic network is formed by the [La(hfac)(5)](2-) dianionic complexes, while it is formed by a pseudo-dimeric dianionic unit of formula {[Nd(hfac)(4)(H(2)O)](2)}(2-) in 2 and 3. In all crystal structures, the organic network is constituted by the TTF-CH=CH-Py(*+) radical cations. The inorganic and organic networks interact through intermolecular contacts between the pyridine moieties of the TTF-CH=CH-Py(*+) radical cations and the Ln(III) ions. The luminescence properties of the Nd(III) ions (9400 cm(-1)) and fluorescence band of the TTF-CH=CH-Py(*+) radical cations (10200 cm(-1)) have been observed and studied for compound 2. Complexes 2 and 3 are paramagnetic because of Nd(III) ions. Compound 2 is a paramagnetic luminescent TTF-radical-cation-based material. Resistivity measurements have also been performed on these materials.

iTAR: a web server for identifying target genes of transcription factors using ChIP-seq or ChIP-chip data.

Science.gov (United States)

Yang, Chia-Chun; Andrews, Erik H; Chen, Min-Hsuan; Wang, Wan-Yu; Chen, Jeremy J W; Gerstein, Mark; Liu, Chun-Chi; Cheng, Chao

2016-08-12

Chromatin immunoprecipitation followed by massively parallel DNA sequencing (ChIP-seq) or microarray hybridization (ChIP-chip) has been widely used to determine the genomic occupation of transcription factors (TFs). We have previously developed a probabilistic method, called TIP (Target Identification from Profiles), to identify TF target genes using ChIP-seq/ChIP-chip data. To achieve high specificity, TIP applies a conservative method to estimate significance of target genes, with the trade-off being a relatively low sensitivity of target gene identification compared to other methods. Additionally, TIP's output does not render binding-peak locations or intensity, information highly useful for visualization and general experimental biological use, while the variability of ChIP-seq/ChIP-chip file formats has made input into TIP more difficult than desired. To improve upon these facets, here we present are fined TIP with key extensions. First, it implements a Gaussian mixture model for p-value estimation, increasing target gene identification sensitivity and more accurately capturing the shape of TF binding profile distributions. Second, it enables the incorporation of TF binding-peak data by identifying their locations in significant target gene promoter regions and quantifies their strengths. Finally, for full ease of implementation we have incorporated it into a web server ( http://syslab3.nchu.edu.tw/iTAR/ ) that enables flexibility of input file format, can be used across multiple species and genome assembly versions, and is freely available for public use. The web server additionally performs GO enrichment analysis for the identified target genes to reveal the potential function of the corresponding TF. The iTAR web server provides a user-friendly interface and supports target gene identification in seven species, ranging from yeast to human. To facilitate investigating the quality of ChIP-seq/ChIP-chip data, the web server generates the chart of the

SraTailor: graphical user interface software for processing and visualizing ChIP-seq data.

Science.gov (United States)

Oki, Shinya; Maehara, Kazumitsu; Ohkawa, Yasuyuki; Meno, Chikara

2014-12-01

Raw data from ChIP-seq (chromatin immunoprecipitation combined with massively parallel DNA sequencing) experiments are deposited in public databases as SRAs (Sequence Read Archives) that are publically available to all researchers. However, to graphically visualize ChIP-seq data of interest, the corresponding SRAs must be downloaded and converted into BigWig format, a process that involves complicated command-line processing. This task requires users to possess skill with script languages and sequence data processing, a requirement that prevents a wide range of biologists from exploiting SRAs. To address these challenges, we developed SraTailor, a GUI (Graphical User Interface) software package that automatically converts an SRA into a BigWig-formatted file. Simplicity of use is one of the most notable features of SraTailor: entering an accession number of an SRA and clicking the mouse are the only steps required to obtain BigWig-formatted files and to graphically visualize the extents of reads at given loci. SraTailor is also able to make peak calls, generate files of other formats, process users' own data, and accept various command-line-like options. Therefore, this software makes ChIP-seq data fully exploitable by a wide range of biologists. SraTailor is freely available at http://www.devbio.med.kyushu-u.ac.jp/sra_tailor/, and runs on both Mac and Windows machines. © 2014 The Authors Genes to Cells © 2014 by the Molecular Biology Society of Japan and Wiley Publishing Asia Pty Ltd.

In Silico Pooling of ChIP-seq Control Experiments

Science.gov (United States)

Sun, Guannan; Srinivasan, Rajini; Lopez-Anido, Camila; Hung, Holly A.; Svaren, John; Keleş, Sündüz

2014-01-01

As next generation sequencing technologies are becoming more economical, large-scale ChIP-seq studies are enabling the investigation of the roles of transcription factor binding and epigenome on phenotypic variation. Studying such variation requires individual level ChIP-seq experiments. Standard designs for ChIP-seq experiments employ a paired control per ChIP-seq sample. Genomic coverage for control experiments is often sacrificed to increase the resources for ChIP samples. However, the quality of ChIP-enriched regions identifiable from a ChIP-seq experiment depends on the quality and the coverage of the control experiments. Insufficient coverage leads to loss of power in detecting enrichment. We investigate the effect of in silico pooling of control samples within multiple biological replicates, multiple treatment conditions, and multiple cell lines and tissues across multiple datasets with varying levels of genomic coverage. Our computational studies suggest guidelines for performing in silico pooling of control experiments. Using vast amounts of ENCODE data, we show that pairwise correlations between control samples originating from multiple biological replicates, treatments, and cell lines/tissues can be grouped into two classes representing whether or not in silico pooling leads to power gain in detecting enrichment between the ChIP and the control samples. Our findings have important implications for multiplexing samples. PMID:25380244

On the use of satellite-derived CH4 : CO2 columns in a joint inversion of CH4 and CO2 fluxes

NARCIS (Netherlands)

Pandey, S.

2015-01-01

We present a method for assimilating total column CH4 : CO2 ratio measurements from satellites for inverse modeling of CH4 and CO2 fluxes using the variational approach. Unlike conventional approaches, in which retrieved CH4 : CO2 are multiplied by model-derived total column CO2 and only the

Are CH2O measurements in the marine boundary layer suitable for testing the current understanding of CH4 photooxidation?: A model study

Science.gov (United States)

Wagner, V.; von Glasow, R.; Fischer, H.; Crutzen, P. J.

2002-02-01

On the basis of a data set collected during the Indian Ocean Experiment (INDOEX) campaign 1999, we investigated the formaldehyde (CH2O) budget in the southern Indian Ocean (SIO). With a photochemical box model we simulated the contribution of methane and nonmethane volatile organic compounds to the CH2O budget. To identify the reactions and model constraints that introduce the largest uncertainties in the modeled CH2O concentration, we carried out a local sensitivity analysis. Furthermore, a Monte Carlo method was used to assess the global error of the model predictions. According to this analysis the 2σ uncertainty in the modeled CH2O concentration is 49%. The deviation between observed (200 +/- 70 parts per trillion by volume (pptv) (2σ)) and modeled (224 +/- 110 pptv (2σ)) daily mean CH2O concentration is 12%. However, the combined errors of model and measurement are such that deviations as large as 65% are not significant at the 2σ level. Beyond the ``standard'' photochemistry we analyzed the impact of halogen and aerosol chemistry on the CH2O concentration and investigated the vertical distribution of CH2O in the marine boundary layer (MBL). Calculations with the Model of Chemistry Considering Aerosols indicate that, based on the current understanding, halogen chemistry and aerosol chemistry have no significant impact on the CH2O concentration under conditions encountered in the SIO. However, a detailed investigation including meteorological effects such as precipitation scavenging and convection reveals an uncertainty in state-of-the-art model predictions for CH2O in the MBL that is too large for a meaningful test of the current understanding of CH4 photooxidation.

Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H + CH(4) H(2) + CH(3).

Science.gov (United States)

Banks, Simon T; Clary, David C

2009-01-14

We consider the general problem of vibrational analysis at nonglobally optimized points on a reduced dimensional reaction surface. We discuss the importance of the use of curvilinear internal coordinates to describe molecular motion and derive a curvilinear projection operator to remove the contribution of nonzero gradients from the Hessian matrix. Our projection scheme is tested in the context of a two-dimensional quantum scattering calculation for the reaction H + CH(4) --> H(2) + CH(3) and its reverse H(2) + CH(3) --> H + CH(4). Using zero-point energies calculated via rectilinear and curvilinear projections we construct two two-dimensional, adiabatically corrected, ab initio reaction surfaces for this system. It is shown that the use of curvilinear coordinates removes unphysical imaginary frequencies observed with rectilinear projection and leads to significantly improved thermal rate constants for both the forward and reverse reactions.

Raman spectroscopy measurement of CH4 gas and CH4 dissolved in water for laser remote sensing in water

Science.gov (United States)

Somekawa, Toshihiro; Fujita, Masayuki

2018-04-01

We examined the applicability of Raman spectroscopy as a laser remote sensing tool for monitoring CH4 in water. The Raman technique has already been used successfully for measurements of CO2 gas in water. In this paper, considering the spectral transmittance of water, third harmonics of Q-switched Nd:YAG laser at 355 nm (UV region) was used for detection of CH4 Raman signals. The Raman signal at 2892 cm-1 from CH4 dissolved in water was detected at a tail of water Raman signal.

Food, energy and society

Energy Technology Data Exchange (ETDEWEB)

Pimental, D; Pimental, M

1979-01-01

Twelve chapters are presented in this book - the first four of which concern hunter-gatherer society, the development of agricultural systems, and an introduction to the relative energy costs of manpower, animal power and machines in food production. The main section of the book (Chapters 6-9) documents the energy use in the production of livestock, grain and legumes, fruit, vegetable and forage, and fish. Comparisons of energy inputs and outputs are made for different crops and for countries at different levels of development. The final section of the book covers food processing, packaging and transport costs. The message of the book is that a switch from the high overall protein and high animal protein diet in the industrialized countries is overdue. Such a move, the author maintains, will reduce the total fossil fuel requirements for food production and enable more people to be adequately fed. The author also recommends extensive use of bicycles for transportation.

δ13C-CH4 in ice core samples

DEFF Research Database (Denmark)

Sperlich, Peter

Ice core records of δ13C-CH4 reflect the variability of CH4 biogeochemistry in response to climate change and show this system is far more complex than expected. The first part of this work is concerned with the development of analytical techniques that allow 1) precise referencing and 2) measure......Ice core records of δ13C-CH4 reflect the variability of CH4 biogeochemistry in response to climate change and show this system is far more complex than expected. The first part of this work is concerned with the development of analytical techniques that allow 1) precise referencing and 2......) measurements of δ13C-CH4 in ice core samples as is required when δ13C-CH4 records that are measured in several laboratories are merged for analysis. Both the referencing and measurement techniques have been compared to further laboratories which proofed the accuracy of the analytical systems. The second part...

Enzyme-controlled nitrogen-atom transfer enables regiodivergent C-H amination.

Science.gov (United States)

Hyster, Todd K; Farwell, Christopher C; Buller, Andrew R; McIntosh, John A; Arnold, Frances H

2014-11-05

We recently demonstrated that variants of cytochrome P450BM3 (CYP102A1) catalyze the insertion of nitrogen species into benzylic C-H bonds to form new C-N bonds. An outstanding challenge in the field of C-H amination is catalyst-controlled regioselectivity. Here, we report two engineered variants of P450BM3 that provide divergent regioselectivity for C-H amination-one favoring amination of benzylic C-H bonds and the other favoring homo-benzylic C-H bonds. The two variants provide nearly identical kinetic isotope effect values (2.8-3.0), suggesting that C-H abstraction is rate-limiting. The 2.66-Å crystal structure of the most active enzyme suggests that the engineered active site can preorganize the substrate for reactivity. We hypothesize that the enzyme controls regioselectivity through localization of a single C-H bond close to the iron nitrenoid.

The ChArMEx database

Science.gov (United States)

Ferré, Helene; Belmahfoud, Nizar; Boichard, Jean-Luc; Brissebrat, Guillaume; Descloitres, Jacques; Fleury, Laurence; Focsa, Loredana; Henriot, Nicolas; Mastrorillo, Laurence; Mière, Arnaud; Vermeulen, Anne

2014-05-01

The Chemistry-Aerosol Mediterranean Experiment (ChArMEx, http://charmex.lsce.ipsl.fr/) aims at a scientific assessment of the present and future state of the atmospheric environment in the Mediterranean Basin, and of its impacts on the regional climate, air quality, and marine biogeochemistry. The project includes long term monitoring of environmental parameters, intensive field campaigns, use of satellite data and modelling studies. Therefore ChARMEx scientists produce and need to access a wide diversity of data. In this context, the objective of the database task is to organize data management, distribution system and services, such as facilitating the exchange of information and stimulating the collaboration between researchers within the ChArMEx community, and beyond. The database relies on a strong collaboration between OMP and ICARE data centres and has been set up in the framework of the Mediterranean Integrated Studies at Regional And Locals Scales (MISTRALS) program data portal. All the data produced by or of interest for the ChArMEx community will be documented in the data catalogue and accessible through the database website: http://mistrals.sedoo.fr/ChArMEx. At present, the ChArMEx database contains about 75 datasets, including 50 in situ datasets (2012 and 2013 campaigns, Ersa background monitoring station), 25 model outputs (dust model intercomparison, MEDCORDEX scenarios), and a high resolution emission inventory over the Mediterranean. Many in situ datasets have been inserted in a relational database, in order to enable more accurate data selection and download of different datasets in a shared format. The database website offers different tools: - A registration procedure which enables any scientist to accept the data policy and apply for a user database account. - A data catalogue that complies with metadata international standards (ISO 19115-19139; INSPIRE European Directive; Global Change Master Directory Thesaurus). - Metadata forms to document

Atmospheric chemistry of 4 : 2 fluorotelomer alcohol (CF3(CF2)(3)CH2CH2OH): Products and mechanism of Cl atom initiated oxidation

DEFF Research Database (Denmark)

Hurley, MD; Ball, JC; Wallington, TJ

2004-01-01

Smog chamber/FTIR techniques were used to study the products and mechanism of the Cl atom initiated oxidation of 4:2 fluorotelomer alcohol (CF3(CF2)(3)CH2CH2OH) in 700 Torr of N-2/O-2 diluent at 296 K. CF3(CF2)(3)CH2CHO is the sole primary oxidation product. CF3(CF2)(3)CHO, CF3(CF2)(3)CH2COOH...... respectively. Using relative rate techniques, a value of k(Cl + CF3(CF2)(3)CH2CHO) = (1.84 +/- 0.30) x 10(-11) cm(3) molecule(-1) s(-1) was determined. The yield of the perfluorinated acid, CF3(CF2)(3)COOH, from the 4:2 fluorotelomer alcohol increased with the diluent gas oxygen concentration......, and CF3(CF2)(3)CH2C(O)OOH are secondary oxidation products. Further irradiation results in the formation of CF3(CF2)(3)COOH, COF2, and CF3OH. CF3(CF2)(3)CHO, CF3(CF2)(3)CH2COOH, and CF3(CF2)(3)CH2C(O)OOH are formed from CF3(CF2)(3)CH2CHO oxidation in yields of 46 27 and less than or equal to 27...

Posouzení vlivu nestandardních přítokových proudových poměrů na Q/h charakteristiku ostrohranného přelivu s obdélníkovým výřezem

OpenAIRE

Šmidrkalová, Nina

2012-01-01

Tato diplomová práce se zabývá problematikou měřících systémů, především užívajících metody Q/H charakteristiky. Popisuje ostrohranné přelivy a zmiňuje se i o měrných žlabech. Uvádí možnosti monitorování průtoků v napevno nainstalovaných profilech s volnou hladinou. Součástí práce je i experiment, který je zaměřen na simulaci nestandardních přítokových proudových poměrů před instalovaným přelivem pro stanovení jejich vlivu na Q/H charakteristiku. Experiment je proveden na pravoúhlém ostrohran...

Ligand-controlled, tunable silver-catalyzed C-H amination.

Science.gov (United States)

Alderson, Juliet M; Phelps, Alicia M; Scamp, Ryan J; Dolan, Nicholas S; Schomaker, Jennifer M

2014-12-03

The development of readily tunable and regioselective C-H functionalization reactions that operate solely through catalyst control remains a challenge in modern organic synthesis. Herein, we report that simple silver catalysts supported by common nitrogenated ligands can be used to tune a nitrene transfer reaction between two different types of C-H bonds. The results reported herein represent the first example of ligand-controlled and site-selective silver-promoted C-H amination.

Transport and deposition of injected hydrocarbons in plasma generator PSI-2

International Nuclear Information System (INIS)

Bohmeyer, W.; Naujoks, D.; Markin, A.; Arkhipov, I.; Koch, B.; Schroeder, D.; Fussmann, G.

2005-01-01

The transport and deposition of hydrocarbons were studied in the stationary plasma of plasma generator PSI-2. CH 4 or C 2 H 4 were injected into the plasma at different positions in the target chamber. After an interaction between the plasma and the hydrocarbons, different species are produced, some of them having high sticking probabilities and forming a:CH films on a temperature controlled collector. The film growth is studied in situ for different plasma parameters. The 3D Monte Carlo code ERO including three different sets of atomic data is used to describe the formation of hydrocarbon films

CH+(1-0) and 13CH+(1-0) absorption lines in the direction of massive star-forming regions

NARCIS (Netherlands)

Falgarone, E.; Godard, B.; Cernicharo, J.; de Luca, M.; Gerin, M.; Phillips, T. G.; Black, J. H.; Lis, D. C.; Bell, T. A.; Boulanger, F.; Coutens, A.; Dartois, E.; Encrenaz, P.; Giesen, T.; Goicoechea, J. R.; Goldsmith, P. F.; Gupta, H.; Gry, C.; Hennebelle, P.; Herbst, E.; Hily-Blant, P.; Joblin, C.; Kaźmierczak, M.; Kołos, R.; Krełowski, J.; Martin-Pintado, J.; Monje, R.; Mookerjea, B.; Neufeld, D. A.; Perault, M.; Pearson, J. C.; Persson, C.; Plume, R.; Salez, M.; Schmidt, M.; Sonnentrucker, P.; Stutzki, J.; Teyssier, D.; Vastel, C.; Yu, S.; Menten, K.; Geballe, T. R.; Schlemmer, S.; Shipman, R.; Tielens, A. G. G. M.; Philipp, S.; Cros, A.; Zmuidzinas, J.; Samoska, L. A.; Klein, K.; Lorenzani, A.; Szczerba, R.; Péron, I.; Cais, P.; Gaufre, P.; Ravera, L.; Morris, P.; Lord, S.; Planesas, P.

2010-01-01

We report the detection of the ground-state rotational transition of the methylidyne cation CH+ and its isotopologue 13CH+ toward the remote massive star-forming regions W33A, W49N, and W51 with the HIFI instrument onboard the Herschel satellite. Both lines are seen only in absorption against the

G331.512–0.103: An Interstellar Laboratory for Molecular Synthesis. I. The Ortho-to-para Ratios for CH3OH and CH3CN

Science.gov (United States)

Mendoza, Edgar; Bronfman, Leonardo; Duronea, Nicolas U.; Lépine, Jacques R. D.; Finger, Ricardo; Merello, Manuel; Hervías-Caimapo, Carlos; Gama, Diana R. G.; Reyes, Nicolas; Åke-Nyman, Lars

2018-02-01

Spectral line surveys reveal rich molecular reservoirs in G331.512–0.103, a compact radio source in the center of an energetic molecular outflow. In this first work, we analyze the physical conditions of the source by means of CH3OH and CH3CN. The observations were performed with the APEX Telescope. Six different system configurations were defined to cover most of the band within (292–356) GHz as a consequence, we detected a forest of lines toward the central core. A total of 70 lines of A/E–CH3OH and A/E–CH3CN were analyzed, including torsionally excited transitions of CH3OH ({ν }t=1). In a search for all the isotopologues, we identified transitions of 13CH3OH. The physical conditions were derived considering collisional and radiative processes. We found common temperatures for each A and E symmetry of CH3OH and CH3CN; the derived column densities indicate an A/E equilibrated ratio for both tracers. The results reveal that CH3CN and CH3OH trace a hot and cold component with {T}k∼ 141 K and {T}k∼ 74 K, respectively. In agreement with previous ALMA observations, the models show that the emission region is compact (≲ 5\\buildrel{\\prime\\prime}\\over{.} 5) with gas density n(H2) = (0.7–1)×107 cm‑3. The CH3OH/CH3CN abundance ratio and the evidences for prebiotic and complex organic molecules suggest a rich and active chemistry toward G331.512–0.103.

Non-Covalent Interactions in Hydrogen Storage Materials LiN(CH32BH3 and KN(CH32BH3

Directory of Open Access Journals (Sweden)

Filip Sagan

2016-03-01

Full Text Available In the present work, an in-depth, qualitative and quantitative description of non-covalent interactions in the hydrogen storage materials LiN(CH32BH3 and KN(CH32BH3 was performed by means of the charge and energy decomposition method (ETS-NOCV as well as the Interacting Quantum Atoms (IQA approach. It was determined that both crystals are stabilized by electrostatically dominated intra- and intermolecular M∙∙∙H–B interactions (M = Li, K. For LiN(CH32BH3 the intramolecular charge transfer appeared (B–H→Li to be more pronounced compared with the corresponding intermolecular contribution. We clarified for the first time, based on the ETS-NOCV and IQA methods, that homopolar BH∙∙∙HB interactions in LiN(CH32BH3 can be considered as destabilizing (due to the dominance of repulsion caused by negatively charged borane units, despite the fact that some charge delocalization within BH∙∙∙HB contacts is enforced (which explains H∙∙∙H bond critical points found from the QTAIM method. Interestingly, quite similar (to BH∙∙∙HB intermolecular homopolar dihydrogen bonds CH∙∙∙HC appared to significantly stabilize both crystals—the ETS-NOCV scheme allowed us to conclude that CH∙∙∙HC interactions are dispersion dominated, however, the electrostatic and σ/σ*(C–H charge transfer contributions are also important. These interactions appeared to be more pronounced in KN(CH32BH3 compared with LiN(CH32BH3.

Molecular Simulations and Theoretical Predictions for Adsorption and Diffusion of CH{sub 4}/H{sub 2} and CO{sub 2}/CH{sub 4} Mixtures in ZIFs

Energy Technology Data Exchange (ETDEWEB)

Liu, Jinchen; Keskin, Seda; Sholl, David S; Johnson, J. Karl

2011-05-01

Adsorption and diffusion of CO{sub 2}/CH{sub 4} and CH{sub 4}/H{sub 2} mixtures were computed in zeolite imidazolate frameworks (ZIFs), ZIF-68 and ZIF-70, using atomically detailed simulations. Adsorption selectivity, diffusion selectivity, and membrane selectivity of ZIFs were calculated based on the results of atomistic simulations. Mixture adsorption isotherms predicted by the ideal adsorbed solution theory agree well with the results of molecular simulations for both ZIFs. Mixture diffusivity calculations indicate that diffusion of CH{sub 4} is increased with increasing concentration of H{sub 2} in the CH{sub 4}/H{sub 2} mixture, while the diffusivity of H{sub 2} decreases with increasing CH{sub 4} concentration. In contrast, the diffusivity of CH{sub 4} is essentially independent of the concentration of CO{sub 2} in the CO{sub 2}/CH{sub 4} mixture, while CO{sub 2} diffusivity decreases with increased CH{sub 4} loading, even though the diffusivity of CH{sub 4} is substantially larger than that of CO{sub 2}. This unusual behavior can be explained in terms of differences in adsorption site preferences due to charge–quadrupole interactions.

Ethanol oxidation reactions catalyzed by water molecules: CH3CH2OH+n H2O→ CH3CHO+ H2+n H2O (n=0,1,2)

Science.gov (United States)

Takahashi, H.; Hisaoka, S.; Nitta, T.

2002-09-01

Ab initio density functional theory calculations have been performed to investigate the catalytic role of water molecules in the oxidation reaction of ethanol: CH3CH2OH+n H2O→ CH3CHO+ H2+n H2O (n=0,1,2) . The results show that the potential energy barrier for the reaction is 88.0 kcal/mol in case of n=0, while it is reduced by ˜34 kcal/mol when two water molecules are involved ( n=2) in the reaction. As a result, the rate constant increases to 3.31×10 -4 s-1, which shows a significant catalytic role of water molecules in the ethanol oxidation reactions.

A potential role of substrate as a base for deprotonation pathway in Rh-catalysed C-H amination of heteroArenes: DFT insights

KAUST Repository

Ajitha, Manjaly John

2016-03-29

The possibility of direct introduction of a new functionality through C–H bond activation is an attractive strategy in covalent synthesis. Here, we investigated the mechanism of Rh-catalysed C-H amination of the hetero-aryl substrate (2-phenylpyridine) using phenyl azide as nitrogen source by density functional theory (DFT). For the deprotocyclometallation and protodecyclometallation processes of the title reaction, we propose a stepwise base-assisted mechanism (pathway I) instead of previously reported concerted mechanism (pathway II). In the new mechanism proposed here, 2-phenylpyridine acts as a base in the initial deprotonation step (C-H bond cleavage) and transports the proton towards the final protonation step. In fact, the N-H bond of the strong conjugate acid (formed during initial C-H bond cleavage) considered in pathway I (via TS4) is more acidic than the C-H bond of the neutral substrate considered in pathway II (via TS5). The higher activation barrier of TS5 mainly originates from the ring strain of the four membered cyclic transition state. The vital role of base, as disclosed here, can potentially have broader mechanistic implications for the development of reaction conditions of transition metal catalysed reactions.

Proton location in (CH3)3N-H+-(CH3OH)n: A theoretical and infrared spectroscopic study

International Nuclear Information System (INIS)

Bing, Dan; Hamashima, Toru; Tsai, Chen-Wei; Fujii, Asuka; Kuo, Jer-Lai

2013-01-01

Highlights: • Preferential location of the excess proton in the trimethylamine-methanol clusters. • Collaboration between DFT calculations and IR spectroscopy. • The excess proton prefers the protonation to the trimethylamine moiety. - Abstract: The dependence of the preferential protonated site in (CH 3 ) 3 N-H + -(CH 3 OH) n on the cluster size was investigated using theoretical calculations and infrared spectroscopy measurements. While simple estimation from the magnitude of proton affinity suggested that the excess proton prefers the methanol site in n ⩾ 4, density functional theory calculations of the stabilization energy indicated the clear preference as protonation of the trimethylamine site, even for n = 9. Infrared spectra of the clusters were observed for n = 3–7. Spectral simulations were also performed using the quantum harmonic superposition approximation. The observed (CH 3 ) 3 N-H + -(CH 3 OH) n spectra were well interpreted by simulations of the isomers with the protonated trimethylamine ion core. It was shown that both the proton affinity and the mutual solvation energy govern the preferential location of the excess proton in binary component clusters

Tunable diode laser in-situ CH4 measurements aboard the CARIBIC passenger aircraft: instrument performance assessment

Science.gov (United States)

Dyroff, C.; Zahn, A.; Sanati, S.; Christner, E.; Rauthe-Schöch, A.; Schuck, T. J.

2014-03-01

A laser spectrometer for automated monthly measurements of methane (CH4) mixing ratios aboard the CARIBIC passenger aircraft is presented. The instrument is based on a commercial Fast Greenhouse Gas Analyser (FGGA, Los Gatos Res.), which was adapted to meet the requirements imposed by unattended airborne operation. It was characterised in the laboratory with respect to instrument stability, precision, cross sensitivity to H2O, and accuracy. For airborne operation, a calibration strategy is described that utilises CH4 measurements obtained from flask samples taken during the same flights. The precision of airborne measurements is 2 ppb for 10 s averages. The accuracy at aircraft cruising altitude is 3.85 ppb. During aircraft ascent and descent, where no flask samples were obtained, instrumental drifts can be less accurately determined and the uncertainty is estimated to be 12.4 ppb. A linear humidity bias correction was applied to the CH4 measurements, which was most important in the lower troposphere. On average, the correction bias was around 6.5 ppb at an altitude of 2 km, and negligible at cruising flight level. Observations from 103 long-distance flights are presented that span a large part of the northern hemispheric upper troposphere and lowermost stratosphere (UT/LMS), with occasional crossing of the tropics on flights to southern Africa. These accurate data mark the largest UT/LMS in-situ CH4 dataset worldwide. An example of a tracer-tracer correlation study with ozone is given, highlighting the possibility for accurate cross-tropopause transport analyses.

The effects of CO addition on the autoignition of H-2, CH4 and CH4/H-2 fuels at high pressure in an RCM

NARCIS (Netherlands)

Gersen, Sander; Darmeveil, Harry; Levinsky, Howard

2012-01-01

Autoignition delay times of stoichiometric and fuel-lean (phi = 0.5) H-2, H-2/CO, CH4, CH4/CO, CH4/H-2 and CH4/CO/H-2 mixtures have been measured in an Rapid Compression Machine at pressures ranging from 20 to 80 bar and in the temperature range 900-1100K. The effects of CO addition on the ignition

[Recommendations of the European Society of Cardiology and the European Atherosclerosis Society on Cardiovascular Disease Prevention and Management of Dyslipidemias. for the Diagnosis of Atherosclerosis and Dyslipidemia Treatment (2016): Basic S.G.

Science.gov (United States)

Bubnova, M G; Kukharchuk, V V

2017-03-01

This review summarizes the main provisions of the new, issued in 2016, recommendations of the European Society of Cardiology and Atherosclerosis Society in cooperation with the European Association on Cardiovascular Prevention and Rehabilitation on Cardiovascular disease prevention and Management of dyslipidemia. In these recommendations, the following trends can be traced distinctly: priority in primary prevention is given to non-drug methods of influence; targets of hypolipidemic therapy are identified not only for low density lipoprotein (LDL) cholesterol (CH), but also for non-high density lipoprotein (HDL) CH, especially in cases of concomitant hypertriglyceridemia. In the field of therapy, in which statins remain the main tool of correction of hyperlipidemia, it is recommended to more widely resort to the use of combination therapy, especially in cases of familial hypercholesterolemia or intolerance to statins; introduction of a new class of drugs- inhibitors of proprotein convertase subtilisin/kexin type 9 makes it possible to further reduce the level of LDLCH, lipoprotein(a) more than 60%. Regarding the wider application of these drugs there are issues related to the relatively limited experience of their use and the lack of data on long-term results and the incidence of side effects. Much attention is paid to more active correction of dyslipidemia in elderly patients, patients with chronic renal failure, diabetes, and several other diseases. The emergence of new European recommendations will undoubtedly serve as a stimulus to the revision of the Russian recommendations, which remain unchanged from 2012.

Solution-Grown Monocrystalline Hybrid Perovskite Films for Hole-Transporter-Free Solar Cells

KAUST Repository

Peng, Wei; Wang, Lingfei; Banavoth, Murali; Ho, Kang-Ting; Bera, Ashok; Cho, Nam Chul; Kang, Chen-Fang; Burlakov, Victor M.; Pan, Jun; Sinatra, Lutfan; Ma, Chun; Xu, Wei; Shi, Dong; Alarousu, Erkki; Goriely, Alain; He, Jr-Hau; Mohammed, Omar F.; Wu, Tao; Bakr, Osman

2016-01-01

conversion efficiencies (PCEs) >5%, and superior stability for prototype cells. Furthermore, the monocrystalline devices using a hole-transporter-free structure yield PCEs ≈6.5%, the highest among other similar-structured CH3NH3PbBr3 solar cells to date.

Standards for transport and storage components established by The Atomic Energy Society of Japan and The Japan Society of Mechanical Engineers

International Nuclear Information System (INIS)

Hirose, M.; Aritomi, M.; Saegusa, T.; Hayashi, T.; Takeda, T.; Onishi, K.; Kawakami, K.

2004-01-01

Since June 1997 the standards/specifications and inspection/certification of various products in Japan have been reviewed by Ministries and Agencies, with the aim of reducing direct government intervention to a necessary minimum and creating a free and fair socio-economic system that is fully opened to the international community and based on the rules of self-responsibility and market principles. Reflecting this policy the administrative regulations which prescribe technical standards as specific requirements have been revised by degrees into performance prescriptions. Detailed provisions in ordinances and notices have been abolished gradually to utilize voluntary standards and rules. In the nuclear energy field voluntary standards are being developed to make up statutory performance requirements by the Atomic Energy Society of Japan (AESJ) and the Japan Society of Mechanical Engineers (JSME) together with other organizations such as the Japan Electric Association, the Thermal and Nuclear Power Engineering Society. These voluntary standards and rules by these organizations have been established in order to maintain openness, transparency, fairness, professionalism and promptness and to promote development and globalization

Intermolecular interactions involving C-H bonds, 3, Structure and energetics of the interaction between CH{sub 4} and CN{sup {minus}}

Energy Technology Data Exchange (ETDEWEB)

Novoa, J.J.; Whangbo, Myung-Hwan [North Carolina State Univ., Raleigh, NC (United States). Dept. of Chemistry; Williams, J.M. [Argonne National Lab., IL (United States)

1991-12-31

On the basis of SCF and single reference MP2 calculations, the full potential energy surface of the interaction between CH{sub 4} and CN{sup {minus}} was studied using extended basis sets of up to near Hartree-Fock limit quality. Colinear arrangements C-N{sup {minus}}{hor_ellipsis}H-CH{sub 3} and N-C{sup {minus}}{hor_ellipsis}H-CH{sub 3} are found to be the only two energy minima. The binding energies of these two structures are calculated to be 2.5 and 2.1 kcal/mol, respectively, at the MP2 level. The full vibrational analyses of two structures show a red shift of about 30 cm{sup {minus}1} for the v{sub s} C-H stretching.

Finding the Missing Stratospheric Br(sub y): A Global Modeling Study of CHBr3 and CH2Br2

Science.gov (United States)

Liang, Q.; Stolarski, R. S.; Kawa, S. R.; Nielsen, J. E.; Douglass, A. R.; Rodriguez, J. M.; Blake, D. R.; Atlas, E. L.; Ott, L. E.

2010-01-01

Recent in situ and satellite measurements suggest a contribution of 5 pptv to stratospheric inorganic bromine from short-lived bromocarbons. We conduct a modeling study of the two most important short-lived bromocarbons, bromoform (CHBr3) and dibromomethane (CH2Br2), with the Goddard Earth Observing System Chemistry Climate Model (GEOS CCM) to account for this missing stratospheric bromine. We derive a "top-down" emission estimate of CHBr3 and CH2Br2 using airborne measurements in the Pacific and North American troposphere and lower stratosphere obtained during previous NASA aircraft campaigns. Our emission estimate suggests that to reproduce the observed concentrations in the free troposphere, a global oceanic emission of 425 Gg Br yr(exp -1) for CHBr3 and 57 Gg Br yr(exp -l) for CH2Br2 is needed, with 60% of emissions from open ocean and 40% from coastal regions. Although our simple emission scheme assumes no seasonal variations, the model reproduces the observed seasonal variations of the short-lived bromocarbons with high concentrations in winter and low concentrations in summer. This indicates that the seasonality of short-lived bromocarbons is largely due to seasonality in their chemical loss and transport. The inclusion of CHBr3 and CH2Br2 contributes 5 pptv bromine throughout the stratosphere. Both the source gases and inorganic bromine produced from source gas degradation (BrSLS) in the troposphere are transported into the stratosphere, and are equally important. Inorganic bromine accounts for half (2.5 pptv) of the bromine from the inclusion of CHBr3 and CHzBr2 near the tropical tropopause and its contribution rapidly increases to 100% as altitude increases. More than 85% of the wet scavenging of Br(sub y)(sup VSLS) occurs in large-scale precipitation below 500 hPa. Our sensitivity study with wet scavenging in convective updrafts switched off suggests that Br(sub y)(sup SLS) in the stratosphere is not sensitive to convection. Convective scavenging only

The national-economic cost of reduction of greenhouse gases emission. Comparison of investments aimed towards a reduced greenhouse gas emission in power industry, agriculture, transportation sector and other essential greenhouse gas sources

International Nuclear Information System (INIS)

1995-01-01

For a number of years the cost of reducing CO 2 emissions in the energy sector in Denmark has been investigated in detail. The same has not been the case what concerns the cost of reducing other greenhouse gases (CH 4 and N 2 O) and especially not what concerns the possibilities of reducing greenhouse gases in other sectors in the Danish economy, i.e. agriculture, transport, industry, domestic waste and forestry. Thus, the objective of this project was twofold: 1) To calculate the national economic costs related to a number of options for reducing Danish greenhouse gas emissions (CO 2 , CH 4 and N 2 O) by using the same methodology for all important sectors in the economy and 2) To compare the cost efficiency of these options not only wihtin the individual sectors but also across the sectoral boundaries to achieve an overall view of the reduction possibilities in society and the associated costs. (au) 80 refs.; Prepared by Forskningscenter Risoe and Danmarks Miljoeundersoegelser. Afdeling for Systemanalyse

The Conference Proceedings of the 2001 Air Transport Research Society (ATRS) of the WCTR Society. Volume 2

Science.gov (United States)

Lee, Yeong-Heok (Editor); Bowen, Brent D. (Editor); Tarry, Scott E. (Editor)

2001-01-01

The ATRS held its 5th Annual conference at the City University of Hong Kong Campus in July 2001. The conference was a success with nearly 140 participants including 70 presenters. Titles that comprise Volume 2 include: Intelligent Airport Gate Assignment System; A Study on the Effects of the Personality Compatibility to the Job Performance; ITS/CVO Application for Air cargo Transportation in Korea; An Airport as a Logistics and Economic Hub: The Case of Incheon International Airport; The Impact Of Aviation Safety over the Consumer's Behavior; The Integration of China and Taiwan Air Networks for Direct Air Cargo Services; Quality perception and carrier choice in Civil Aviation; Future Trends in Business Travel Decision Making; Cooperation Among German Airports in Europe; Inbound and Outbound Air Passenger Traffic Forecasting between the United States and Selected Asian countries; An Evaluation of Alternative Facilities for Airport Redevelopment using Fuzzy Linguistic Approach; Economic Analysis of Airline Alliances; The Aviation Cooperation between the two Koreas Preparing for the Reunification of the Peninsula; and A Study on the Air Transport Cooperation in Northeast Asia between China, Japan and Korea.

Fragmentation characteristics of the unstable [CH3 CO][radical sign] radicals generated by neutralization of [CH3CO]+ cations

Science.gov (United States)

Hop, C. E. C. A.; Holmes, J. L.

1991-03-01

The stability and fragmentation characteristics of [CH3 CO][radical sign] radicals, generated by vertical charge exchange between acetyl cations and permanent gases or metal vapours (He, Xe, NO, Cd, Na and K), were examined mass spectrometrically. Two dissociation reactions were observed, the losses of CH[radical sign]3 and H[radical sign]. The H[radical sign] loss reaction, the higher energy dissociation, became of greater importance as the exothermicity of the charge exchange was increased. Based on the analysis of the kinetic energy releases it was concluded that these decompositions arose from the population of two excited states of the [CH3 CO][radical sign] radical.

Molecular heterogeneous catalysts derived from bipyridine-based organosilica nanotubes for C-H bond activation.

Science.gov (United States)

Zhang, Shengbo; Wang, Hua; Li, Mei; Han, Jinyu; Liu, Xiao; Gong, Jinlong

2017-06-01

Heterogeneous metal complex catalysts for direct C-H activation with high activity and durability have always been desired for transforming raw materials into feedstock chemicals. This study described the design and synthesis of one-dimensional organosilica nanotubes containing 2,2'-bipyridine (bpy) ligands in the framework (BPy-NT) and their post-synthetic metalation to provide highly active and robust molecular heterogeneous catalysts. By adjusting the ratios of organosilane precursors, very short BPy-NT with ∼50 nm length could be controllably obtained. The post-synthetic metalation of bipyridine-functionalized nanotubes with [IrCp*Cl(μ-Cl)] 2 (Cp* = η 5 -pentamethylcyclopentadienyl) and [Ir(cod)(OMe)] 2 (cod = 1,5-cyclooctadiene) afforded solid catalysts, IrCp*-BPy-NT and Ir(cod)-BPy-NT, which were utilized for C-H oxidation of heterocycles and cycloalkanes as well as C-H borylation of arenes. The cut-short nanotube catalysts displayed enhanced activities and durability as compared to the analogous homogeneous catalysts and other conventional heterogeneous catalysts, benefiting from the isolated active sites as well as the fast transport of substrates and products. After the reactions, a detailed characterization of Ir-immobilized BPy-NT via TEM, SEM, nitrogen adsorption, UV/vis, XPS, and 13 C CP MAS NMR indicated the molecular nature of the active species as well as stable structures of nanotube scaffolds. This study demonstrates the potential of BPy-NT with a short length as an integration platform for the construction of efficient heterogeneous catalytic systems for organic transformations.

Space and Salvation in Colette's Chéri and La Fin de Chéri

Directory of Open Access Journals (Sweden)

Ann Leone Philbrick

1984-01-01

Full Text Available Colette's critics often seem to dismiss all but her autobiographical creatures as whimsical and inarticulate. Her characters are frequently less eloquent than the spaces they create and inhabit; this observation offers an approach to Chéri and La Fin de Chéri that invites us to read them as two of Colette's most ambitious and authentic works. Here are stories of compromises with the containers of one's life and identity: streets, salons, boudoirs, and, ultimately, the body. Indeed, the self and its containers function symbiotically. Chéri makes no effort to direct this relationship, and kills himself when the world finally seems inscrutable and formless; his older mistress, Léa, responds joyfully—or with melancholic respect—to the surfaces and limits of her world. We are left with a harsher insight into Colette's vision than we are accustomed to. She suggests that survival lies not in the endless definition of one's place in the world, but in its recognition and a loving, even fearing, homage.

CH3NH3PbCl3 Single Crystals: Inverse Temperature Crystallization and Visible-Blind UV-Photodetector

KAUST Repository

Maculan, Giacomo

2015-09-02

Single crystals of hybrid perovskites have shown remarkably improved physical properties compared to their polycrystalline film counterparts, underscoring their importance in the further development of advanced semiconductor devices. Here we present a new method of sizeable CH3NH3PbCl3 single crystal growth based on retrograde solubility behavior of hybrid perovskites. We show, for the first time, the energy band structure, charge-carrier recombination and transport properties of single crystal CH3NH3PbCl3. The chloride-based perovskite crystals exhibit trap-state density, charge carriers concentration, mobility and diffusion length comparable with the best quality crystals of methylammonium lead iodide or bromide perovskites reported so far. The high quality of the crystal along with its suitable optical bandgap enabled us to design and build an efficient visible-blind UV-photodetector, demonstrating the potential of this material to be employed in optoelectronic applications.

Stable isotope ratios of the atmospheric CH4, CO2 and N2O in Tokai-mura

International Nuclear Information System (INIS)

Porntepkasemsan, Boonsom; Andoh, Mariko A.; Amano, Hikaru

2000-11-01

This report presents the results and interpretation of stable isotope ratios of the atmospheric CH 4 , CO 2 and N 2 O from a variety of sources in Tokai-mura. The seasonal changes of δ 13 CH 4 , δ 13 CO 2 and δ 15 N 2 O were determined under in-situ conditions in four sampling sites and one control site. Such measurements are expected to provide a useful means of estimating the transport mechanisms of the three trace gases in the environment. These isotopic signatures were analyzed by Isotope Ratio Mass Spectrometer (IRMS, Micromass Isoprime). Our data showed the significant seasonal fluctuation in the Hosoura rice paddy during the entire growing season in 1999. Possible causes for the variation are postulated. Additional measurements on soil properties and on organic δ 13 C in rice plant are suggested. Cited outstanding original papers are summarized in the references. (author)

Separace pevných částic z heterogenní suspenze

OpenAIRE

Prax, Ondřej

2009-01-01

Bakalářská práce obsahuje literární rešerši zabývající se separací pevných částic z heterogenní suspenze. První část je věnována pojednání o separačních metodách. Na ni navazuje kapitola o separačních zařízeních, které se používají na čistírnách odpadních vod. Součásti práce je podrobnější popis separátoru, který slouží k separaci písku z odpadní vody. Popisované zařízení sloužící k oddělování pevných složek ze suspenze využívá kombinace metod sedimentace a odstřeďování. K vizualizaci separát...

Electron paramagnetic resonance of gamma irradiated (CH3)3NHClO4 and CH3NH3ClO4 single crystals

International Nuclear Information System (INIS)

Yavuz, Metin; Koeksal, Fevzi

1999-01-01

Gamma irradiation damage centers in (CH 3 ) 3 NHClO 4 and CH 3 NH 3 ClO 4 single crystals have been investigated at room temperature by the electron paramagnetic resonance (EPR) technique. It has been found that γ-irradiation produces the (CH 3 ) 3 N + radical in the first, and NH + 3 and ClO 3 radicals in the second compound. The EPR parameters of the observed radicals have been determined and discussed

ChIPBase v2.0: decoding transcriptional regulatory networks of non-coding RNAs and protein-coding genes from ChIP-seq data.

Science.gov (United States)

Zhou, Ke-Ren; Liu, Shun; Sun, Wen-Ju; Zheng, Ling-Ling; Zhou, Hui; Yang, Jian-Hua; Qu, Liang-Hu

2017-01-04

The abnormal transcriptional regulation of non-coding RNAs (ncRNAs) and protein-coding genes (PCGs) is contributed to various biological processes and linked with human diseases, but the underlying mechanisms remain elusive. In this study, we developed ChIPBase v2.0 (http://rna.sysu.edu.cn/chipbase/) to explore the transcriptional regulatory networks of ncRNAs and PCGs. ChIPBase v2.0 has been expanded with ∼10 200 curated ChIP-seq datasets, which represent about 20 times expansion when comparing to the previous released version. We identified thousands of binding motif matrices and their binding sites from ChIP-seq data of DNA-binding proteins and predicted millions of transcriptional regulatory relationships between transcription factors (TFs) and genes. We constructed 'Regulator' module to predict hundreds of TFs and histone modifications that were involved in or affected transcription of ncRNAs and PCGs. Moreover, we built a web-based tool, Co-Expression, to explore the co-expression patterns between DNA-binding proteins and various types of genes by integrating the gene expression profiles of ∼10 000 tumor samples and ∼9100 normal tissues and cell lines. ChIPBase also provides a ChIP-Function tool and a genome browser to predict functions of diverse genes and visualize various ChIP-seq data. This study will greatly expand our understanding of the transcriptional regulations of ncRNAs and PCGs. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

Synthesis of ethyl [14CH3]methylmalonyl thioglycolate as a possible substrate analogue of [14CH3]methylmalonyl coenzyme-A

International Nuclear Information System (INIS)

Kovacs, I.; Kovacs, Z.

1991-01-01

Ethyl methylmalonyl thioglycolate is a potential substrate analogue of methylmalonyl-coenzyme-A (methylmalonyl-CoA) in the investigation of propionic acid metabolism. To prove this hypothesis, the tracer ethyl [ 14 CH 3 ] methylmalonyl thioglycolate was synthesized via methyl-Meldrum's acid to carry out the biochemical examinations. The method described can also be used to synthesize [ 14 CH 3 ] methylmalonyl-CoA by transesterification of active labelled methylmalonyl thiophenyl ester. This latter intermediate is chemically stable when stored at room temperature, and the unstable [ 14 CH 3 ]methylmalonyl-CoA can be prepared in one step just preceeding the biochemical experiments. (author)

Photosynthates as dominant source of CH4 and CO2 in soil water and CH4 emitted to the atmosphere from paddy fields

Science.gov (United States)

Minoda, Tomomi; Kimura, Mamoto; Wada, Eitaro

1996-09-01

Emission rates of CH4 from paddy soil with and without rice straw applications were measured with pot experiments to estimate the contribution of rice straw to the total CH4 emission during the growth period of rice plants. The CH4 derived from rice straw was calculated to be 44% of the total emission. 13CO2 uptake experiments were also carried out four times from June 30 to September 13, 1994, to estimate the contribution of photosynthesized carbon to CH4 emission. The contribution percentages of photosynthesized carbon to the total CH4 emitted to the atmosphere were 3.8% around June 30, 31% around July 25, 30% around August 19, and 14% around September 13 in the treatment with rice straw applications, and 52% around July 25, 28% around August 19, and 15% around September 13 in the treatment without rice straw applications. They were calculated to be 22% and 29% for the entire growth period in the treatments with and without rice straw applications, respectively. The contribution percentages of photosynthesized carbon to the total CH4 and inorganic carbon (Σ CO2) dissolved in soil water were 1.3%, 30%, 29%, and 34% for dissolved CH4 and 3.0%, 36%, 30% and 28% for dissolved inorganic carbon around June 30, July 25, August l9, and September 13, respectively, in the treatment with rice straw applications. They were 70%, 23%, and 32% for dissolved CH4 and 31%, 16%, and 19% for dissolved inorganic carbon around July 25, August 19, and September 13, respectively, in the treatment without rice straw applications.

Experimental and numerical study of cap-like lean limit flames in H 2 -CH 4 -air mixtures

KAUST Repository

Zhou, Zhen

2017-11-15

Lean limit flames of H2-CH4-air mixtures stabilized inside a tube with an inner diameter of 30 mm in a downward flow are studied experimentally and numerically. A transition from bubble-like flames, with a long decaying skirt, to cap-like flames with a sharp visible flame edge at the bottom is observed as the lean flammability limit is approached. This transition is accompanied by formation of a secondary weak flame front inside the cap-like flame. The CH* chemiluminescence distribution of the studied flames is recorded and the velocity field of the lean limit flames is measured using Particle Image Velocimetry (PIV). The flame temperature field is measured utilizing the Rayleigh scattering method. Numerical prediction with a mixture-averaged transport model and skeletal mechanism for CH4 qualitatively reproduces the above experimentally observed phenomena. The presence of negative flame displacement speed for the entire leading edge of the cap-like flames is numerically predicted and experimentally demonstrated. The secondary weak flame front is located in a region with reverse upward flow of the recirculation zone, which is found to support the propagation of the leading edge with a negative flame displacement speed. Furthermore, radiative heat loss has a significant influence on the lean flammability limit of the cap-like flames.

Danish emission inventories for road transport and other mobile sources

DEFF Research Database (Denmark)

Winther, Morten

for road transport increased by 30 %, and CH4 emissions have decreased by 74 %. A N2O emission increase of 29 % is related to the relatively high emissions from older gasoline catalyst cars. The 1985-2010 emission decrease for NOX, NMVOC, CO and particulates (exhaust only: Size is below PM2.5) -52, -84...

Effect of Amine-Functionalized MIL-53 Metal Organic Frameworks on the Performance of Poly(4-methyl-1-pentyne Membrane in CO2/CH4 Separation Gas Mixture

Directory of Open Access Journals (Sweden)

Reza Abedini

2015-06-01

Full Text Available The effect of NH2-MIL 53 metal organic framework (MOF on gas transport properties of poly(4-methyl-1-pentyne (PMP was investigated. Various characterization methods such as FTIR, DSC, SEM and gas adsorption test as well as a series of CO2/CH4 gas separation tests (i.e., pure and mixed gas test were conducted in order to determine the effect of ligand functionalization (–NH2 on the properties of the prepared mixed matrix membranes and their gas transport characteristics. The results of DSC showed that glass transition temperature (Tg increased by increasing NH2-MIL 53 loading. The SEM images also demonstrated that the NH2-MIL 53 particles were dispersed well in the PMP matrix with no noticeable agglomeration. The gas adsorption test of NH2-MIL 53 particles revealed there was a selective adsorption behavior with respect to CO2. It was also found that, incorporation of NH2-MIL 53 into the PMP resulted in an increase in gas permeability (especially towards CO2 and a higher CO2/CH4 selectivity. Adding 30 wt% NH2-MIL 53 into the polymer matrix increased CO2 permeability and CO2/CH4 selectivity of the mixed gas from 83.35 to 210.21 barrer and 7.61 to 19.88, respectively. Rising the temperature from 30 to 60°C led to the permeability increment of both CO2 and CH4 in the mixed gas test, while the CO2/CH4 selectivity decreased. Moreover, the results showed that amino groups required no regeneration and their performance did not decline during 120 h of permeation test. A comparison between the permeation data and those calculated from permeation models revealed that the Bruggeman model could fit the CO2 permeability data better than the Maxwell and Lewis models.

Výpočet rovnovážných stavů ve vysokolegovaných chromových ocelích

Czech Academy of Sciences Publication Activity Database

Unucka, P.; Foret, R.; Svoboda, Milan; Kroupa, Aleš

2003-01-01

Roč. 76, č. 290 (2003), s. 223-227 ISSN 1429-6055. [Mezinárodní symposium /18./ Struktura a vlastnosti konstrukčních materiálů a výrobků. Svratka, 25.11.2003-27.11.2003] R&D Projects: GA ČR GA106/03/0636 Institutional research plan: CEZ:AV0Z2041904 Keywords : thermodynamic calculation * high-Cr steels * phase precipitation Subject RIV: BM - Solid Matter Physics ; Magnetism

Isothermal Reaction of NiO Powder with Undiluted CH4 at 1000 K to 1300 K (727 °C to 1027 °C)

Science.gov (United States)

Altay, Melek Cumbul; Eroglu, Serafettin

2017-08-01

In this study, isothermal reaction behavior of loose NiO powder in a flowing undiluted CH4 atmosphere at the temperature range 1000 K to 1300 K (727 °C to 1027 °C) is investigated. Thermodynamic analyses at this temperature range revealed that single phase Ni forms at the input n_{CH}_{4}^{o} + n_{NiO}^{o}) (n_{CH}_{4}^{{o} + n_{NiO}^{o}) mole fractions ( X_{CH}_{4} ) between 0.2 and 0.5. It was also predicted that free C co-exists with Ni at X_{{{{CH}}_{ 4} }} values higher than 0.5. The experiments were carried out as a function of temperature, time, and CH4 flow rate. Mass measurement, XRD and SEM-EDX were used to characterize the products at various stages of the reaction. At 1200 K and 1300 K (927 °C and 1027 °C), the reaction of NiO with undiluted CH4 essentially consisted of two successive distinct stages: NiO reduction and pyrolytic C deposition on pre-reduced Ni particles. At 1200 K (927 °C), 1100 K (827 °C), and 1000 K (727 °C), complete oxide reduction was observed within 7.5, 17.5, and 45 minutes, respectively. It was suggested that NiO was essentially reduced to Ni by a CH4 decomposition product, H2. Possible reactions leading to NiO reduction were suggested. An attempt was made to describe the NiO reduction kinetics using nucleation-growth and geometrical contraction models. It was observed that the extent of NiO reduction and free C deposition increased with the square root of CH4 flow rate as predicted by a mass transport theory. A mixed controlling mechanism, partly chemical kinetics and partly external gaseous mass transfer, was responsible for the overall reaction rate. The present study demonstrated that the extent of the reduction can be determined quantitatively using the XRD patterns and also using a formula theoretically derived from the basic XRD data.

Activation of sp3-CH Bonds in a Mono(pentamethylcyclopentadienyl)yttrium Complex. X-ray Crystal Structures and Dynamic Behavior of Cp*Y(o-C6H4CH2NMe2)2 and Cp*Y[o-C6H4CH2NMe(CH2-μ)][μ-o-C6H4CH2NMe(CH2-μ)]YCp*[THF

NARCIS (Netherlands)

Booij, Martin; Kiers, Niklaas H.; Meetsma, Auke; Teuben, Jan H.; Smeets, Wilberth J.J.; Spek, Anthony L.

1989-01-01

Reaction of Y(o-C6H4CH2NMe2)3 (1) with Cp*H gives Cp*Y(o-C6H4CH2NMe2)2 (2), which crystallizes in the monoclinic space group P21/n (No. 14) with a = 18.607 (4) Å, b = 15.633 (3) Å, c = 8.861 (3) Å, β = 102.73 (3)°, and Z = 4. Least-squares refinement with 3006 independent reflections (F > 4.0σ(F))

(Phosphinoalkyl)silanes. 4.(1) Hydrozirconation as a Non-Photochemical Route to (Phosphinopropyl)silanes: Facile Assembly of the Bis(3-(diphenylphosphino)propyl)silyl ("biPSi") Ligand Framework. Access to the Related Poly(3-(dimethylsilyl)propyl)phosphines R(n)()P(CH(2)CH(2)CH(2)SiMe(2)H)(3)(-)(n)() (n = 1, R = Ph; n = 0).

Science.gov (United States)

Zhou, Xiaobing; Stobart, Stephen R.; Gossage, Robert A.

1997-08-13

Treatment of SiEt(3)(CH=CH(2)) with ZrCp(2)HCl (Schwartz's reagent) followed by reaction with PPh(2)Cl provides a high-yield (75%) route to Ph(2)PCH(2)CH(2)SiEt(3), and accordingly hydrozirconation of CH(2)=CHCH(2)SiHMe(2) affords the intermediate ZrCp(2)(CH(2)CH(2)CH(2)SiHMe(2))Cl (2). The latter, which is very sensitive to hydrolysis and reacts with HCl forming SiHMe(2)Pr(n)() and with NBS or I(2) affording SiHMe(2)CH(2)CH(2)CH(2)X (X = Br (3), I (4)), behaves similarly with PPh(2)Cl, PPhCl(2), or PBr(3) undergoing cleavage to the known Ph(2)PCH(2)CH(2)CH(2)SiMe(2)H (i.e. chelH, A) and the novel bis- and tris(silylpropyl)phosphines PhP(CH(2)CH(2)CH(2)SiMe(2)H)(2) (5) and P(CH(2)CH(2)CH(2)SiMe(2)H)(3) (6), respectively, with concomitant formation of ZrCp(2)Cl(2). Corresponding hydroboration of allylsilanes is facile, but subsequent phosphine halide cleavage yields (phosphinoalkyl)silanes only as constituents of intractable mixtures. Hydrozirconation followed by phosphination with PPh(2)Cl also converts SiHMe(CH(2)CH=CH(2))(2) to SiHMe(CH(2)CH(2)CH(2)PPh(2))(2) (i.e. biPSiH, B) together with a propyl analogue Ph(2)PCH(2)CH(2)CH(2)SiMe(Pr(n)())H (7) of A (ca. 2:1 ratio), as well as SiH(CH(2)CH=CH(2))(3) to a mixture (ca. 5:2:1 ratio) of SiH(CH(2)CH(2)CH(2)PPh(2))(3) (i.e. triPSiH, C), a new analogue SiH(Pr(n)())(CH(2)CH(2)CH(2)PPh(2))(2) (8) of B, and a further analogue Ph(2)PCH(2)CH(2)CH(2)SiHPr(n)()(2) (9) of A. A further analogue SiH(2)(CH(2)CH(2)CH(2)PPh(2))(2) (10) of biPSiH (B) is obtained similarly starting from SiH(2)(CH(2)CH=CH(2))(2). Steric control of silylalkyl cleavage from 2 is indicated by the fact that, like PPh(2)Cl (which forms B), two further biPSiH analogues SiH(Me)[CH(2)CH(2)CH(2)P(n-hex)(2)](2) (11) and SiH(Me)(CH(2)CH(2)CH(2)PPhBz)(2) (12) were obtained using P(n-hex)(2)Cl (i.e. n-hex = CH(3)(CH(2))(4)CH(2)-) or PPhBzCl (i.e. Bz = -CH(2)C(6)H(5)), respectively, whereas neither PPr(i)(2)Cl nor PBu(t)(2)Cl led to (phosphinoalkyl)silane formation

The distribution of chandelier cell axon terminals that express the GABA plasma membrane transporter GAT-1 in the human neocortex.

Science.gov (United States)

Inda, M C; Defelipe, J; Muñoz, A

2007-09-01

Chandelier cells represent a unique type of cortical GABAergic interneuron whose axon terminals (Ch-terminals) form synapses exclusively with the axon initial segments of pyramidal cells. In this study, we have used immunocytochemistry for the high-affinity plasma membrane transporter-1 (GAT-1) to analyze the distribution and density of Ch-terminals in various cytoarchitectonic and functional areas of the human neocortex. The lowest density of GAT-1-immuoreactive (-ir) Ch-terminals was detected in the primary and secondary visual (areas 17 and 18) and in the somatosensory areas (areas 3b and 1). In contrast, an intermediate density was observed in the motor area 4 and the associative frontolateral areas 45 and 46, whereas the associative frontolateral areas 9 and 10, frontal orbitary areas 11, 12, 13, 14, and 47, associative temporal areas 20, 21, 22, and 38, and cingulate areas 24 and 32 displayed the highest density of GAT-1-ir Ch-terminals. Despite these differences, the laminar distribution of GAT-1-ir Ch-terminals was similar in most cortical areas. Hence, the highest density of this transporter was observed in layer II, followed by layers III, V, VI, and IV. In most cortical areas, the density of GAT-1-ir Ch-terminals was positively correlated with the neuronal density, although a negative correlation was detected in layer III across all cortical areas. These results indicate that there are substantial differences in the distribution and density of GAT-1-ir Ch-terminals between areas and layers of the human neocortex. These differences might be related to the different functional attributes of the cortical regions examined.

Ballistic energy transport via perfluoroalkane linkers

Energy Technology Data Exchange (ETDEWEB)

Rubtsova, Natalia I. [Department of Chemistry, Tulane University, New Orleans, LA 70118 (United States); Rubtsov, Igor V., E-mail: irubtsov@tulane.edu [Department of Chemistry, Tulane University, New Orleans, LA 70118 (United States)

2013-08-30

Highlights: ► Energy transport in perfluoroalkanes oligomers of various chain lengths was studied. ► Cross-peaks among C=O stretch and CH bending modes were recorded using RA 2DIR. ► Efficient constant-speed energy transport with the speed of 1150 m/s is found. ► Ballistic energy transport mechanism is suggested. - Abstract: Intramolecular energy transport in a series of perfluoroalkane oligomers with various chain lengths of 3, 5, 7, 9, and 11 carbon atoms terminated by a carboxylic acid moiety on one end and –CF{sub 2}H group on another end is studied by relaxation-assisted two-dimensional infrared spectroscopy. Perfluoroalkane oligomers adopt an extended structure with antiperiplanar orientation of the neighboring carbon atoms. The energy transport initiated by exciting the C=O stretching mode of the acid was recorded by measuring a cross-peak amplitude between the C=O stretch and the C–H bending mode as a function of the waiting time between the excitation and probing. A linear dependence of energy transport time vs. chain length is found, which suggests a ballistic energy transport mechanism. The energy transport speed, measured from the chain-length dependence of the half-rise time, T{sub ½}, was found to be ca. 1150 m/s, which is close to the longitudinal speed of sound in Teflon polymers.

Tropospheric radiative forcing of CH4

International Nuclear Information System (INIS)

Grossman, A.S.; Grant, K.E.

1994-04-01

We have evaluated the tropospheric radiative forcing of CH 4 in the 0-3000 cm -1 wavenumber range and compared this with prior published calculations. The atmospheric test cases involved perturbed methane scenarios in both a McClatchey mid latitude, summer, clear sky approximation, model atmosphere, as well as a globally and seasonally averaged model atmosphere containing a representative cloud distribution. The scenarios involved pure CH 4 radiative forcing and CH 4 plus a mixture of H 2 O, CO 2 , O 3 , and N 2 O. The IR radiative forcing was calculated using a correlated k-distribution transmission model. The major purposes of this paper are to first, use the correlated k-distribution model to calculate the tropospheric radiative forcing for CH 4 , as the only radiatively active gas, and in a mixture with H 2 O, CO 2 , O 3 , and N 2 O, for a McClatchey mid-latitude summer, clear-sky model atmosphere, and to compare the results to those obtained in the studies mentioned above. Second, we will calculate the tropospheric methane forcing in a globally and annually averaged atmosphere with and without a representative cloud distribution in order to validate the conjecture given in IPCC (1990) that the inclusion of clouds in the forcing calculations results in forcing values which are approximately 20 percent less than those obtained using clear sky approximations

The complete genome sequence of Cupriavidus metallidurans strain CH34, a master survivalist in harsh and anthropogenic environments.

Directory of Open Access Journals (Sweden)

Paul J Janssen

Full Text Available Many bacteria in the environment have adapted to the presence of toxic heavy metals. Over the last 30 years, this heavy metal tolerance was the subject of extensive research. The bacterium Cupriavidus metallidurans strain CH34, originally isolated by us in 1976 from a metal processing factory, is considered a major model organism in this field because it withstands milli-molar range concentrations of over 20 different heavy metal ions. This tolerance is mostly achieved by rapid ion efflux but also by metal-complexation and -reduction. We present here the full genome sequence of strain CH34 and the manual annotation of all its genes. The genome of C. metallidurans CH34 is composed of two large circular chromosomes CHR1 and CHR2 of, respectively, 3,928,089 bp and 2,580,084 bp, and two megaplasmids pMOL28 and pMOL30 of, respectively, 171,459 bp and 233,720 bp in size. At least 25 loci for heavy-metal resistance (HMR are distributed over the four replicons. Approximately 67% of the 6,717 coding sequences (CDSs present in the CH34 genome could be assigned a putative function, and 9.1% (611 genes appear to be unique to this strain. One out of five proteins is associated with either transport or transcription while the relay of environmental stimuli is governed by more than 600 signal transduction systems. The CH34 genome is most similar to the genomes of other Cupriavidus strains by correspondence between the respective CHR1 replicons but also displays similarity to the genomes of more distantly related species as a result of gene transfer and through the presence of large genomic islands. The presence of at least 57 IS elements and 19 transposons and the ability to take in and express foreign genes indicates a very dynamic and complex genome shaped by evolutionary forces. The genome data show that C. metallidurans CH34 is particularly well equipped to live in extreme conditions and anthropogenic environments that are rich in metals.

Evaluation of alternatives for a second-generation transportation system for Department of Energy transuranic waste

International Nuclear Information System (INIS)

1984-01-01

Department of Energy (DOE) waste storage sites will ship their contact-handled (CH) and remote-handled (RH) transuranic (TRU) waste to the Waste Isolation Pilot Plant (WIPP) beginning FY 1989. The CH-TRU waste will be shipped in the Transuranic Package Transported (TRUPACT-I), a new packaging being developed by Sandia National Laboratories, Albuquerque/Transportation Technology Center. Some of the DOE TRU waste, however, might be unsuitable for shipment in TRUPACT-I, and is designated special-shipped (SS) TRU waste. The purposes of this study were to: (1) identify the quantity and characteristics of SS-TRU waste stored and generated at DOE facilities; (2) identify alternatives for managing the SS-TRU waste; and (3) make overall recommendations for managing the SS-TRU waste. Data on quantity and characteristics were gathered through coordinating visits to the sites and extracting information from each site's records. Representatives of DOE organizations and contractors set objectives for managing the SS-TRU waste. Alternative shipping systems were then identified for CH SS-TRU waste and RH SS-TRU waste. Evaluations of these alternatives considered how well they would satisfy each objective, and associated potential problems. The study recommends delaying the decision on how best to transport the CH SS-TRU waste to WIPP until the amount of SS-TRU processed waste in heavy drums is known. These conditions and choices are presented: a relatively small number of processed, heavy drums could be shipped most economically via TRUPACT-I, mixed with lighter drums of unprocessed waste. If a large number of heavy drums is to be shipped, a shorter and narrower version of TRUPACT-I would be preferred alternative. The Defense High-Level Waste cask is the recommended alternative system for shipping RH SS-TRU waste. 12 references, 15 figures, 22 tables

Coupling a Neural Network with Atmospheric Flow Simulations to Locate and Quantify CH4 Emissions at Well Pads

Science.gov (United States)

Travis, B. J.; Sauer, J.; Dubey, M. K.

2017-12-01

Methane (CH4) leaks from oil and gas production fields are a potentially significant source of atmospheric methane. US DOE's ARPA-E office is supporting research to locate methane emissions at 10 m size well pads to within 1 m. A team led by Aeris Technologies, and that includes LANL, Planetary Science Institute and Rice University has developed an autonomous leak detection system (LDS) employing a compact laser absorption methane sensor, a sonic anemometer and multiport sampling. The LDS system analyzes monitoring data using a convolutional neural network (cNN) to locate and quantify CH4 emissions. The cNN was trained using three sources: (1) ultra-high-resolution simulations of methane transport provided by LANL's coupled atmospheric transport model HIGRAD, for numerous controlled methane release scenarios and methane sampling configurations under variable atmospheric conditions, (2) Field tests at the METEC site in Ft. Collins, CO., and (3) Field data from other sites where point-source surface methane releases were monitored downwind. A cNN learning algorithm is well suited to problems in which the training and observed data are noisy, or correspond to complex sensor data as is typical of meteorological and sensor data over a well pad. Recent studies with our cNN emphasize the importance of tracking wind speeds and directions at fine resolution ( 1 second), and accounting for variations in background CH4 levels. A few cases illustrate the importance of sufficiently long monitoring; short monitoring may not provide enough information to determine accurately a leak location or strength, mainly because of short-term unfavorable wind directions and choice of sampling configuration. Length of multiport duty cycle sampling and sample line flush time as well as number and placement of monitoring sensors can significantly impact ability to locate and quantify leaks. Source location error at less than 10% requires about 30 or more training cases.

Dobrodružství cestujících (Model polemiky ve třicátých letech 19. století)

Czech Academy of Sciences Publication Activity Database

Piorecká, Kateřina

Suppl., 14/2 (2011), s. 108-118 ISSN 1211-975X. [Karel Jaromír Erben a úloha paměťových institucí v historických proměnách. Malá Skála, 15.04.2011-16.04.2011] Institutional research plan: CEZ:AV0Z90560517 Keywords : Czech literature * Erben, Karel Jaromír * polemics Subject RIV: AJ - Letters, Mass-media, Audiovision

CHARLES HORTON COOLEY'S THEORY OF TRANSPORTATION: TOWARDS AN INTERACTIONIST APPROACH FOR TRANSPORTATION STUDIES

Science.gov (United States)

Nakano, Takeshi

The aim of this paper is to interpret Charles Horton Cooley's "Theory of Transportation", situating it in his interactionist sociology of communication and social process. Cooley defines transportation as a spatial and physical form of communication. He also develops a interactionist theory of valuation and articulates that value as an end of action is shaped an d transformed by communication and interaction. These insights suggest that transportation as a form of communication will change and develop economic society through transforming personal desires and values so as to change behaviours. Cooley's theory implies that an interactionist approach is useful for understanding the subjective side of phenomena of transportation.

Coupled-cluster sum-frequency generation nonlinear susceptibilities of methyl (CH3) and methylene (CH2) groups.

Science.gov (United States)

Tetsassi Feugmo, Conrard Giresse; Liégeois, Vincent; Champagne, Benoît

2017-11-15

The first vibrational sum frequency generation (SFG) spectra based on molecular properties calculated at the coupled cluster singles and doubles (CCSD) level of approximation have been simulated for interfacial model alkyl chains, providing benchmark data for comparisons with approximate methods, including density functional theory (DFT). The approach proceeds in three steps. In the first two steps, the molecular spectral properties are determined: the vibrational normal modes and frequencies and then the derivatives of the dipole moment and of the polarizability with respect to the normal coordinates. These derivatives are evaluated with a numerical differentiation approach, of which the accuracy was monitored using Romberg's procedure. Then, in the last step, a three-layer model is employed to evaluate the macroscopic second-order nonlinear optical responses and thereby the simulated SFG spectra of the alkyl interface. Results emphasize the following facts: (i) the dipole and polarizability derivatives calculated at the DFT level with the B3LYP exchange-correlation functional can differ, with respect to CCSD, by as much as ±10 to 20% and ±20 to 50% for the CH 3 and CH 2 vibrations, respectively; (ii) these differences are enhanced when considering the SFG intensities as well as their variations as a function of the experimental configuration (ppp versus ssp) and as a function of the tilt and rotation angles, defining the orientation of the alkyl chain at the interface; (iii) these differences originate from both the vibrational normal coordinates and the Cartesian derivatives of the dipole moment and polarizability; (iv) freezing the successive fragments of the alkyl chain strongly modifies the SFG spectrum and enables highlighting the delocalization effects between the terminal CH 3 group and its neighboring CH 2 units; and finally (v) going from the free chain to the free methyl model, and further to C 3v constraints on leads to large variations of two ratios

Seizures in Chédiak-Higashi syndrome: case report Crises convulsivas na síndrome de Chédiak-Higashi: relato de caso

Directory of Open Access Journals (Sweden)

GABRIEL R. DE FREITAS

1999-06-01

Full Text Available Chédiak-Higashi syndrome is a rare hematological disease characterized by increased fusion of cytoplasmatic granules. Neurological symptoms occur in approximately half of the patients. We describe the clinical, eletrophysiological, hematological and radiological findings in a girl who had Chédiak-Higashi syndrome and seizures.A síndrome de Chédiak-Higashi é uma doença hematológica rara caracterizada pelo aumento da fusão dos grânulos citoplasmáticos. Manifestações neurológicas ocorrem em cerca de metade dos pacientes. Relatamos o caso de uma criança com síndrome de Chédiak-Higashi e crises convulsivas.

Thermodynamic activity of saturated solutions of CsClO4 in ethylene glycol and its analogs of the HOCH2(CH2CH2O)nCH2OH series

International Nuclear Information System (INIS)

Krasnoperova, A.P.; Ivanova, E.F.; Kijko, S.M.; Yukhno, G.D.

1997-01-01

Solubility of CsClO 4 in ethylene glycol, diethylene glycol, triethylene glycol, tetraethylene glycol, polyethylene glycols with molar mass 300 and 400 in the temperature range of 273.15-318.15 K has been ascertained by the method of radioactive indicators. Dependence of saturated solutions activity on temperature, dielectric permittivity and the number of (CH 2 CH 2 O) ether groups in glycols is discussed

Megafauna and frozen soil: the drivers of atmospheric CH4 dynamics

Science.gov (United States)

Zimov, N.; Zimov, S. A.

2010-12-01

During the last deglaciation (LD) a strong increase in atmospheric methane (CH4) concentrations occurred simultaneously with a rise in Greenland temperatures indicating that in the north, during this time period, strong CH4 sources “awakened”, as additionally documented by the appearance of a strong gradient between northern (Greenland) and southern (Antarctica) hemisphere atmospheric CH4 concentrations. This rise could not be caused by wetland expansion. A reconstruction of peatland formation dynamics has indicated that wetlands on Earth were few in LD and only actively expanded 10,000 yr BP, after atmospheric CH4 concentrations began to decline. Destabilization of methane clathrates also could not be the source for atmospheric CH4 increase. Geological CH4 (including methane clathrates) has the highest deuterium content (δD) among all of the known sources of CH4 while atmospheric CH4 δD values determined for the LD were record low. To explain recorded atmospheric CH4 and its isotopic dynamics required a strong northern source, which was active only during the LD and that provided very low δD CH4 values. Such a source is permafrost thawing under anaerobic conditions (or better stated soils of mammoth steppe-tundra ecosystems). Permafrost thawing is the strongest, among known, wetland sources (usually over 100g CH4/m2yr) and has a unique isotopic signature (δD = -400 per mil (-338 to -479 per mil), δ13C = -73 per mil (-58 to -99 per mil)). The main sources of atmospheric CH4 have different isotopic signatures (δ13C, δD). The isotopic content of atmospheric CH4 is a simple function of the weight average for all of the sources. Inclusion of permafrost source into a budget model of the atmospheric methane and its isotopes allowed us to reconstruct the dynamics of methane’s main sources. Model indicated geological source to be negligible as in LGM so and in LD and Holocene. During the glaciation, the largest methane source was megafauna, whose 1

Electron pairing analysis of the Fischer-type chromium-carbene complexes (CO){sub 5}Cr=C(X)R (X=H, OH, OCH{sub 3}, NH{sub 2}, NHCH{sub 3} and R=H, CH{sub 3}, CH=CH{sub 2}, Ph, C-CH )

Energy Technology Data Exchange (ETDEWEB)

Poater, Jordi; Cases, Montserrat; Fradera, Xavier; Duran, Miquel; Sola, Miquel

2003-10-15

The electron-pair density distributions of a series of 25 Fischer carbene complexes of the type (CO){sub 5}Cr=C(X)R (X=H, OH, OCH{sub 3}, NH{sub 2}, NHCH{sub 3} and R=H, CH{sub 3}, CH=CH{sub 2}, Ph, C-CH) are analyzed using the Atoms in Molecules theory. Localization and delocalization indices are used to characterize the electron pairing taking place in the Cr=C---X moiety in these complexes. Electron delocalization between the Cr and C atoms and between the C atom and the X group are related to the {pi}-donor strength of the X group and the degree of back-donation between the chromium pentacarbonyl and the carbene fragments. The results obtained with the Atoms in Molecules theory complement those obtained in a previous study by means of energy and charge decomposition analyses. Electron delocalization between the Cr atom and the X group is consistent with the hypothesis of a weak 3-center 4-electron bonding interaction in the Cr=C-X group of atoms. Except for X=H, {delta}(Cr,X) increases with the decrease of the {pi}-donor character of the X group.

Cavity ring down spectroscopy of CH, CH2, HCO, and H2CO in a premixed flat flame at both atmospheric and sub-atmospheric pressure

NARCIS (Netherlands)

Evertsen, R.; Staicu, A.D.; Oijen, van J.A.; Dam, N.J.; Goey, de L.P.H.; Meulen, ter J.J.; Cheauveau, C.; Vovelle, C.

2003-01-01

Density distributions of CH, CH2, HCO and H2CO have been measured in a premixed CH4/air flat flame by Cavity Ring Down Spectroscopy (CRDS). At atmospheric pressure problems are encountered due to the narrow spatial distribution of these species. Rotational flame Temperatures have been derived from

Atmospheric chemistry of CH3CHF2 (R-152a): mechanism of the CH3CF2O2+HO2 reaction

DEFF Research Database (Denmark)

Hashikawa, Y; Kawasaki, M; Andersen, Mads Peter Sulbæk

2004-01-01

FTIR smog chamber techniques have been used to investigate the mechanism of the reaction of CH3CF2O2 with HO2 radicals in 100-700 Torr of synthetic air at 296 K. The reaction gives CH3CF2OOH and COF2 in molar yields of 0.53 +/- 0.05 and 0.47 +/- 0.05, respectively. Results are discussed with resp......FTIR smog chamber techniques have been used to investigate the mechanism of the reaction of CH3CF2O2 with HO2 radicals in 100-700 Torr of synthetic air at 296 K. The reaction gives CH3CF2OOH and COF2 in molar yields of 0.53 +/- 0.05 and 0.47 +/- 0.05, respectively. Results are discussed...

Dissociative sticking of CH4 on Ru(0001)

DEFF Research Database (Denmark)

Nielsen, Jane Hvolbæk; Holmblad, Peter Mikal; Chorkendorff, Ib

1999-01-01

In this study the CH4 dissociation probability on Ru(0001) is found for various translational and vibrational energies. The absolute sticking values are determined from King and Wells experiments and carbon uptake curves. The carbon amount is determined from the recombination signal of carbon...... with oxygen obtained after the beam exposure when heating in an oxygen atmosphere. The measured sticking coefficient of CH4 is strongly enhanced both by increasing the translational and the vibrational energy of the CH4 molecule. A model is applied to the data and an estimate of the thermal activation energy...

Role of bromine doping on the photovoltaic properties and microstructures of CH3NH3PbI3 perovskite solar cells

International Nuclear Information System (INIS)

Suzuki, Atsushi; Okada, Hiroshi; Oku, Takeo

2016-01-01

Organic-inorganic hybrid heterojunction solar cells containing CH 3 NH 3 PbI 3 perovskite compound were fabricated using mesoporous TiO 2 as the electronic transporting layer and spirobifluorence as the hole-transporting layer. The purpose of the present study is to investigate role of bromine (Br) doping on the photovoltaic properties and microstructure of CH 3 NH 3 PbI 3 perovskite solar cells. Photovoltaic, optical properties and microstructures of perovskite-based solar cells were investigated. The X-ray diffraction identified crystal structure of the perovskite layer doped with Br in the solar cell. Scanning electron microscopy observation showed a different behavior of surface morphology and the perovskite crystal structure on the TiO 2 mesoporous structure depending on extent amount of hydrogen doping of Br. The role of bromide halogen doping on the perovskite crystal structure and photovoltaic properties was due to improvement of carrier mobility, optimization of electron structure, band gap related with the photovoltaic parameters of V oc , J sc and η. Energy diagram and photovoltaic mechanism of the perovskite solar cells varied with halogen doping was discussed by experimental results

Hot filament-dissociation of (CH3)3SiH and (CH3)4Si, probed by vacuum ultra violet laser time of flight mass spectroscopy.

Science.gov (United States)

Sharma, Ramesh C; Koshi, Mitsuo

2006-11-01

The decomposition of trimethylsilane and tetramethylsilane has been investigated for the first time, using hot wire (catalytic) at various temperatures. Trimethylsilane is catalytic-dissociated in these species SiH(2), CH(3)SiH, CH(3), CH(2)Si. Time of flight mass spectroscopy signal of these species are linearly increasing with increasing catalytic-temperature. Time of flight mass spectroscopy (TOFMS) signals of (CH(3))(3)SiH and photodissociated into (CH(3))(2)SiH are decreasing with increasing hot filament temperature. TOFMS signal of (CH(3))(4)Si is decreasing with increasing hot wire temperature, but (CH(3))(3)Si signal is almost constant with increasing the temperature. We calculated activation energies of dissociated species of the parental molecules for fundamental information of reaction kinetics for the first time. Catalytic-dissociation of trimethylsilane, and tetramethylsilane single source time of flight coupled single photon VUV (118 nm) photoionization collisionless radicals at temperature range of tungsten filament 800-2360 K. The study is focused to understand the fundamental information on reaction kinetics of these molecules at hot wire temperature, and processes of catalytic-chemical vapour deposition (Cat-CVD) technique which could be implemented in amorphous and crystalline SiC semiconductors thin films.

A brief overview of the Chemistry-Aerosol Mediterranean Experiment (ChArMEx) database and campaign operation centre (ChOC)

Science.gov (United States)

Ferré, Hélène; Dulac, François; Belmahfoud, Nizar; Brissebrat, Guillaume; Cloché, Sophie; Descloitres, Jacques; Fleury, Laurence; Focsa, Loredana; Henriot, Nicolas; Ramage, Karim; Vermeulen, Anne

2016-04-01

Initiated in 2010 in the framework of the multidisciplinary research programme MISTRALS (Mediterranean Integrated Studies at Regional and Local Scales; http:www.mistrals-home.org), the Chemistry-Aerosol Mediterranean Experiment (ChArMEx, http://charmex.lsce.ipsl.fr/) aims at federating the scientific community for an updated assessment of the present and future state of the atmospheric environment in the Mediterranean Basin, and of its impacts on the regional climate, air quality, and marine biogeochemistry. The project combines mid- and long-term monitoring, intensive field campaigns, use of satellite data, and modelling studies. In this presentation we provide an overview of the campaign operation centre (http://choc.sedoo.fr/) and project database (http://mistrals.sedoo.fr/ChArMEx), at the end of the first experimental phase of the project that included a series of large campaigns based on airborne means (including balloons and various aircraft) and a network of surface stations. Those campaigns were performed mainly in the western Mediterranean basin in the summer of 2012, 2013 and 2014 with the help of the ChArMEx Operation Centre (ChOC), an open web site that has the objective to gather and display daily quick-looks from model forecasts and near-real time in situ and remote sensing observations of physical and chemical weather conditions relevant for the everyday campaign operation decisions. The ChOC is also useful for post campaign analyses and can be completed with a number of quick-looks of campaign results obtained later in order to offer an easy access to, and comprehensive view of all available data during the campaign period. The items included are selected according to the objectives and location of the given campaigns. The second experimental phase of ChArMEx from 2015 on is more focused on the eastern basin. In addition, the project operation centre is planned to be adapted for a joint MERMEX-ChArMEx oceanographic cruise (PEACETIME) for a study at

Výběr vhodných autochtonních kvasinek pro výrobu vína

OpenAIRE

Krátká, Veronika

2014-01-01

Cílem této diplomové práce byl výběr vhodných autochtonních kvasinek pro výrobu vína. Testované kvasinky byly izolovány z hroznů, které poskytlo vinařství Maňák Žádovice. Dále byly testovány kvasinky, izolované v rámci diplomových prací z let 2009 – 2012, a pro srovnání jedna komerční kvasinka. V teoretické časti je kladen důraz na technologii výroby vína, zejména na kvašení. Dále je práce zaměřena na kvasinky, jejich metabolismus a taxonomii. Byl popsán princip metody PCR-RFLP, a princip met...

Oxasmaragdyrins as New and Efficient Hole-Transporting Materials for High-Performance Perovskite Solar Cells.

Science.gov (United States)

Mane, Sandeep B; Sutanto, Albertus Adrian; Cheng, Chih-Fu; Xie, Meng-Yu; Chen, Chieh-I; Leonardus, Mario; Yeh, Shih-Chieh; Beyene, Belete Bedemo; Diau, Eric Wei-Guang; Chen, Chin-Ti; Hung, Chen-Hsiung

2017-09-20

The high performance of the perovskite solar cells (PSCs) cannot be achieved without a layer of efficient hole-transporting materials (HTMs) to retard the charge recombination and transport the photogenerated hole to the counterelectrode. Herein, we report the use of boryl oxasmaragdyrins (SM01, SM09, and SM13), a family of aromatic core-modified expanded porphyrins, as efficient hole-transporting materials (HTMs) for perovskite solar cells (PSCs). These oxasmaragdyrins demonstrated complementary absorption spectra in the low-energy region, good redox reversibility, good thermal stability, suitable energy levels with CH 3 NH 3 PbI 3 perovskite, and high hole mobility. A remarkable power conversion efficiency of 16.5% (V oc = 1.09 V, J sc = 20.9 mA cm -2 , fill factor (FF) = 72%) is achieved using SM09 on the optimized PSCs device employing a planar structure, which is close to that of the state-of-the-art hole-transporting materials (HTMs), spiro-OMeTAD of 18.2% (V oc = 1.07 V, J sc = 22.9 mA cm -2 , FF = 74%). In contrast, a poor photovoltaic performance of PSCs using SM01 is observed due to the interactions of terminal carboxylic acid functional group with CH 3 NH 3 PbI 3 .

Kinetics of the Br2-CH3CHO Photochemical Chain Reaction

Science.gov (United States)

Nicovich, J. M.; Shackelford, C. J.; Wine, P. H.

1997-01-01

Time-resolved resonance fluorescence spectroscopy was employed in conjunction with laser flash photolysis of Br2 to study the kinetics of the two elementary steps in the photochemical chain reaction nBr2 + nCH3CHO + hv yields nCH3CBrO + nHBr. In the temperature range 255-400 K, the rate coefficient for the reaction Br((sup 2)P(sub 3/2)) + CH3CHO yields CH3CO + HBr is given by the Arrhenius expression k(sub 6)(T) = (1.51 +/- 0.20) x 10(exp -11) exp(-(364 +/- 41)/T)cu cm/(molecule.s). At 298 K, the reaction CH3CO + Br2 yields CH3CBrO + Br proceeds at a near gas kinetic rate, k(sub 7)(298 K) = (1.08 +/- 0.38) x 10(exp -10)cu cm/(molecule.s).

O chá verde e suas ações como quimioprotetor

Directory of Open Access Journals (Sweden)

Wanderlei Schmitz

2005-12-01

Full Text Available O chá preto é responsável por 75% do chá consumido no mundo e o chá verde, por apenas 22%. O chá que era consumido como medicamento, passou a ser do gosto popular devido as suas característica organolépticas. Seus componentes flavonóides e catequinas apresentam uma série de atividades biológicas, antioxidante, quimioprotetora, antiinflamatória e anticarcinogênica. Vários estudos vêm sendo desenvolvidos por pesquisadores em varias regiões do mundo para comprovar estas atividades terapêuticas, objetivando compreender os mecanismos de ação do chá verde. Diante do acima citado, esta revisão tem por finalidade apresentar as varias linhas de pesquisa em andamento e os resultados já obtidos sobre o efeito quimioprotetor/antioxidante do chá verde.

Communication: Photodissociation of CH3CHO at 308 nm: Observation of H-roaming, CH3-roaming, and transition state pathways together along the ground state surface

Science.gov (United States)

Li, Hou-Kuan; Tsai, Po-Yu; Hung, Kai-Chan; Kasai, Toshio; Lin, King-Chuen

2015-01-01

Following photodissociation of acetaldehyde (CH3CHO) at 308 nm, the CO(v = 1-4) fragment is acquired using time-resolved Fourier-transform infrared emission spectroscopy. The CO(v = 1) rotational distribution shows a bimodal feature; the low- and high-J components result from H-roaming around CH3CO core and CH3-roaming around CHO radical, respectively, in consistency with a recent assignment by Kable and co-workers (Lee et al., Chem. Sci. 5, 4633 (2014)). The H-roaming pathway disappears at the CO(v ≥ 2) states, because of insufficient available energy following bond-breaking of H + CH3CO. By analyzing the CH4 emission spectrum, we obtained a bimodal vibrational distribution; the low-energy component is ascribed to the transition state (TS) pathway, consistent with prediction by quasiclassical trajectory calculations, while the high-energy component results from H- and CH3-roamings. A branching fraction of H-roaming/CH3-roaming/TS contribution is evaluated to be (8% ± 3%)/(68% ± 10%)/(25% ± 5%), in which the TS pathway was observed for the first time. The three pathways proceed concomitantly along the electronic ground state surface.

Towards integrative risk management and more resilient societies

Science.gov (United States)

Al-Khudhairy, D.; Axhausen, K.; Bishop, S.; Herrmann, H.; Hu, B.; Kröger, W.; Lewis, T.; MacIntosh, J.; Nowak, A.; Pickl, S.; Stauffacher, D.; Tan, E.

2012-11-01

Society depends decisively on the availability of infrastructure systems such as energy, telecommunication, transportation, banking and finance, health care and governmental and public administration. Even selective damages of one of these infrastructures may result in disruptions of governmental, industrial or public functions. Vulnerability of infrastructures therefore provides spectacular leverage for natural disasters as well as criminal and terrorist actions. Threats and risks are part of the technological, economical, and societal development. This article focuses on the development and characterization of an integrative risk-management which, from the perspective of "resilient systems", can be seen as an innovative and pro-active crisis management approach dealing with the increasing amount of complexity in societies in a comprehensive, agile and adaptive way.

Využívání otevřených vzdělávacích zdrojů studenty environmentálních oborů v České republice

Directory of Open Access Journals (Sweden)

Eduard Petiška

2018-01-01

Full Text Available Otevřené vzdělávací zdroje (OER jsou důležitou inovací ve vzdělávacích technologiích. Jejich správné využívání může mít řadu benefitů pro vysokoškolské vzdělávání i v oblasti environmentálního vzdělávání. Naopak, špatná práce s těmito zdroji může mít negativní dopady na znalosti studentů. Doposud nebylo zřejmé, jaké OER čeští studenti užívají, jak často a k čemu je využívají, a zda jsou schopni určit kritéria kvality. Na základě dosavadních zjištění jsme vypracovali metodu a na jejím základě realizovali výzkum formou dotazníkového šetření. U jednotlivých OER jsme přitom zkoumali a frekvenci využívání, b účely využívání a c subjektivní hodnocení kvality. Dotazníky byly rozdány v rámci environmentálních kurzů na pěti vysokých školách v ČR a celkem bylo vyhodnoceno 233 dotazníků. Ukázalo se, že většina studentů využívá OER často, zejm. Wikipedii, a to jak její českou, tak anglickou verzi, ačkoliv řada z nich má zkušenosti i s úložištěm nelegálních materiálů. Zdroje využívají zejména jako doplněk a sekundární zdroj, případně rozcestník k dalším zdrojům či k přípravě na zkoušky nebo psaní atestačních prací. Jako kvalitní zdroj hodnotí zejména Wikipedii. Většina studentů byla zároveň schopna určit alespoň některá kritéria, podle nichž posuzují kvalitu zdroje.

Fenomén "zdravé výživy" v českých zemích 1945-1989

Czech Academy of Sciences Publication Activity Database

Franc, Martin

2010-01-01

Roč. 12, č. 3 (2010), s. 163-166 ISSN 1212-3536. [Alergie začíná v dětství. Setkání dětských alergologů a klinických imunologů /9./. Telč, 18.06.2010-20.06.2010] Institutional research plan: CEZ:AV0Z80770509 Keywords : nutrition strategy 1945-1989 * Czechoslovakia Subject RIV: AB - History

Photodissociation and photoisomerization dynamics of CH2=CHCHO in solution

International Nuclear Information System (INIS)

Wu Weiqiang; Yang Chunfan; Zhao Hongmei; Liu Kunhui; Su Hongmei

2010-01-01

By means of time-resolved Fourier transform infrared absorption spectroscopy, we have investigated the 193 nm photodissociation and photoisomerization dynamics of the prototype molecule of α,β-enones, acrolein (CH 2 =CHCHO) in CH 3 CN solution. The primary photolysis channels and absolute branching ratios are determined. The most probable reaction mechanisms are clarified by control experiments monitoring the product yields varied with the triplet quencher addition. The predominant channel is the 1,3-H migration yielding the rearrangement product CH 3 CH=C=O with a branching ratio of 0.78 and the less important channel is the α cleavage of C-H bond yielding radical fragments CH 2 =CHCO+H with a branching ratio of only 0.12. The 1,3-H migration is strongly suggested to correlate with the triplet 3 (ππ * ) state rather than the ground S 0 state and the α cleavage of C-H bond is more likely to proceed in the singlet S 1 1 (nπ * ) state. From the solution experiments we have not only acquired clues clarifying the previous controversial mechanisms, but also explored different photochemistry in solution. Compared to the gas phase photolysis which is dominated by photodissociation channels, the most important channel in solution is the photoisomerization of 1,3-H migration. The reason leading to the different photochemistry in solution is further ascribed to the solvent cage effect.

ANALÝZA OXIDAČNÍCH PRODUKTŮ VYBRANÝCH BIOFLAVONOIDŮ

Czech Academy of Sciences Publication Activity Database

Sokolová, Romana; Degano, I.; Ramešová, Šárka; Kocábová, Jana; Fiedler, Jan; Tarábek, Ján

2016-01-01

Roč. 5, č. 2016 (2016), s. 170-170 ISSN 2336-7202. [Sjezd chemických společností /68./. 04.09.2016-07.09.2016, Praha] R&D Projects: GA ČR(CZ) GA14-05180S Grant - others:Rada Programu interní podpory projektů mezinárodní spolupráce AV ČR M200401201 Program:M Institutional support: RVO:61388955 ; RVO:61388963 Keywords : flavonoids * analysis * rhamnazine Subject RIV: CF - Physical ; Theoretical Chemistry

Introducing ionic and/or hydrogen bonds into the SAM//Ga2O3 top-interface of Ag(TS)/S(CH2)nT//Ga2O3/EGaIn junctions.

Science.gov (United States)

Bowers, Carleen M; Liao, Kung-Ching; Yoon, Hyo Jae; Rappoport, Dmitrij; Baghbanzadeh, Mostafa; Simeone, Felice C; Whitesides, George M

2014-06-11

Junctions with the structure Ag(TS)/S(CH2)nT//Ga2O3/EGaIn (where S(CH2)nT is a self-assembled monolayer, SAM, of n-alkanethiolate bearing a terminal functional group T) make it possible to examine the response of rates of charge transport by tunneling to changes in the strength of the interaction between T and Ga2O3. Introducing a series of Lewis acidic/basic functional groups (T = -OH, -SH, -CO2H, -CONH2, and -PO3H) at the terminus of the SAM gave values for the tunneling current density, J(V) in A/cm(2), that were indistinguishable (i.e., differed by less than a factor of 3) from the values observed with n-alkanethiolates of equivalent length. The insensitivity of the rate of tunneling to changes in the terminal functional group implies that replacing weak van der Waals contact interactions with stronger hydrogen- or ionic bonds at the T//Ga2O3 interface does not change the shape (i.e., the height or width) of the tunneling barrier enough to affect rates of charge transport. A comparison of the injection current, J0, for T = -CO2H, and T = -CH2CH3--two groups having similar extended lengths (in Å, or in numbers of non-hydrogen atoms)--suggests that both groups make indistinguishable contributions to the height of the tunneling barrier.

[The importance of the Czech Medical Society yesterday and today].

Science.gov (United States)

Fejfar, Z

1992-10-23

Fourteen physicians headed by Jan Evangelista Purkynĕ signed the proposed by-laws of the Czech medical society in october 1861. Emperor's approval was received 26th june 1862 and in july Purkynĕ was elected the first president. The same illuminated personalities were the founders of the Casopis lékarů ceských--the Czech medical Journal which has remained the most important Czech periodical until the present time. The aims of the Society were to cultivate medical science and promote Czech language in medicine. Weekly scientific sessions, medical periodical and publication of monographs related to medicine were the means how to achieve the aims. The Czech Medical Society became soon the centre of medical science in Bohemia. Its members were among the foremost fighters for the use of Czech language in Charles university and their relentless effort helped much to the establishment of the Czech Univerzity in 1882 and Czech medical faculty a year later. In subsequent years the Society was also involved in professional problems related to social health insurance, medical fees, ethical problems and other relevant questions such as the establishment of medical chambers. The activity of the Czech medical Society was never interrupted during its 130 years of existence, although there were several difficult periods in its life, mainly during the first and second world war and also in the past 40 years. In spite of the atomization of medicine the Czech medical Society has been continuing its eminent mission to create communication and establish close links between the medical science and practical medicine by systematically bringing new knowledge in medicine and biology to general physicians and by putting together physicians, surgeons and basic scientists. The task for the future is seen in optimal transfer of new knowledge and ideas from scientists to practicians and vice versa; and to take care of the highest possible moral and ethical standard required for humane

Application of Ozonation to Intensify Nitrification and Denitrification Processes/ Využití Ozonizace K Intenzifikaci Nitrifikačních A Denitrifikačních Procesů

Directory of Open Access Journals (Sweden)

Drozdová Martina

2014-10-01

Full Text Available Dusík a fosfor patří mezi nejdůležitější makrobiogenní prvky, které jsou nezbytné pro rozvoj mikroorganismů. Významným zdrojem organických i anorganických sloučenin dusíku ve vodách jsou splaškové odpadní vody a průmyslové odpadní vody z výroby dusíkatých látek. V povrchové vodě se většina amoniaku nachází ve formě amonných kationtů, NH4+. Tohoto poznatku lze využít v procesu čištění odpadních vod. Článek je zaměřen na možné využití procesu ozonizace při úpravě a čištění vod znečištěných nadměrným množstvím organických látek obsahujících zejména dusík dusíkatých látek a jeho následné aplikaci v kombinaci s jinými oxidačními procesy (AOP.

Radical C-H functionalization to construct heterocyclic compounds.

Science.gov (United States)

Yu, Jin-Tao; Pan, Changduo

2016-02-07

Heterocyclic compounds are widely present in natural products, pharmaceuticals and bioactive molecules. Thus, organic and pharmaceutical chemists have been making extensive efforts to construct those heterocyclic frameworks through developing versatile and efficient synthetic strategies. The direct C-H functionalization via the radical pathway has emerged as a promising and dramatic approach towards heterocycles with high atom- and step-economy. Heterocyclic compounds such as coumarins, furans, benzofurans, xanthones, benzothiazoles, indoles, indolines, oxindoles, quinolines, isoquinolines, quinoxaline, and phenanthridines have been successfully synthesized by C-H functionalization through the radical pathway. In this review, recent advances on radical C-H functionalization to construct heterocyclic compounds are highlighted with discussions.

Metal-free oxidative olefination of primary amines with benzylic C-H bonds through direct deamination and C-H bond activation.

Science.gov (United States)

Gong, Liang; Xing, Li-Juan; Xu, Tong; Zhu, Xue-Ping; Zhou, Wen; Kang, Ning; Wang, Bin

2014-09-14

An oxidative olefination reaction between aliphatic primary amines and benzylic sp(3) C-H bonds has been achieved using N-bromosuccinimide as catalyst and tert-butyl hydroperoxide as oxidant. The olefination proceeds under mild metal-free conditions through direct deamination and benzylic C-H bond activation, and provides easy access to biologically active 2-styrylquinolines with (E)-configuration.

Distillation Calculation for the Separation of {sup 13}CH{sub 4} from LNG

Energy Technology Data Exchange (ETDEWEB)

Song, K.M.; Son, S.H.; Kim, K.S.; Lee, S.K. [Korea Electric Power Research Institute, Taejon (Korea)

2002-07-01

For the purpose of {sup 13}CH{sub 4} production from LNG, the theoretical number of stages and the number of distillation column required for the separation of {sup 13}CH{sub 4} from {sup 12}CH{sub 4}/{sup 13}CH{sub 4} mixture of containing 1%-{sup 13}CH{sub 4} are calculated. Assuming the ideal liquid mixture of containing 1%-{sup 13}CH{sub 4} are calculated. Assuming the ideal liquid mixture of {sup 12}CH{sub 4} and {sup 13}CH{sub 4}, the theoretical number of stages are calculated by smoker equation and FUG method. Using the correlation between the minimum theoretical number of stages and the optimum theoretical number of stages, the number of distillation groups is calculated. From this calculation, we know that 6 groups of distillation tower with 600 stages per one column are needed for the production of 90%-{sup 13}CH{sub 4}. (author). 5 refs., 5 figs., 4 tabs.

Data exploration, quality control and statistical analysis of ChIP-exo/nexus experiments.

Science.gov (United States)

Welch, Rene; Chung, Dongjun; Grass, Jeffrey; Landick, Robert; Keles, Sündüz

2017-09-06

ChIP-exo/nexus experiments rely on innovative modifications of the commonly used ChIP-seq protocol for high resolution mapping of transcription factor binding sites. Although many aspects of the ChIP-exo data analysis are similar to those of ChIP-seq, these high throughput experiments pose a number of unique quality control and analysis challenges. We develop a novel statistical quality control pipeline and accompanying R/Bioconductor package, ChIPexoQual, to enable exploration and analysis of ChIP-exo and related experiments. ChIPexoQual evaluates a number of key issues including strand imbalance, library complexity, and signal enrichment of data. Assessment of these features are facilitated through diagnostic plots and summary statistics computed over regions of the genome with varying levels of coverage. We evaluated our QC pipeline with both large collections of public ChIP-exo/nexus data and multiple, new ChIP-exo datasets from Escherichia coli. ChIPexoQual analysis of these datasets resulted in guidelines for using these QC metrics across a wide range of sequencing depths and provided further insights for modelling ChIP-exo data. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Kinetics of the R + HBr ↔ RH + Br (CH3CHBr, CHBr2 or CDBr2) equilibrium. Thermochemistry of the CH3CHBr and CHBr2 radicals

International Nuclear Information System (INIS)

Seetula, Jorma A.; Eskola, Arkke J.

2008-01-01

The kinetics of the reaction of the CH 3 CHBr, CHBr 2 or CDBr 2 radicals, R, with HBr have been investigated in a temperature-controlled tubular reactor coupled to a photoionization mass spectrometer. The CH 3 CHBr (or CHBr 2 or CDBr 2 ) radical was produced homogeneously in the reactor by a pulsed 248 nm exciplex laser photolysis of CH 3 CHBr 2 (or CHBr 3 or CDBr 3 ). The decay of R was monitored as a function of HBr concentration under pseudo-first-order conditions to determine the rate constants as a function of temperature. The reactions were studied separately from 253 to 344 K (CH 3 CHBr + HBr) and from 288 to 477 K (CHBr 2 + HBr) and in these temperature ranges the rate constants determined were fitted to an Arrhenius expression (error limits stated are 1σ + Student's t values, units in cm 3 molecule -1 s -1 , no error limits for the third reaction): k(CH 3 CHBr + HBr) = (1.7 ± 1.2) x 10 -13 exp[+ (5.1 ± 1.9) kJ mol -1 /RT], k(CHBr 2 + HBr) = (2.5 ± 1.2) x 10 -13 exp[-(4.04 ± 1.14) kJ mol -1 /RT] and k(CDBr 2 + HBr) = 1.6 x 10 -13 exp(-2.1 kJ mol -1 /RT). The energy barriers of the reverse reactions were taken from the literature. The enthalpy of formation values of the CH 3 CHBr and CHBr 2 radicals and an experimental entropy value at 298 K for the CH 3 CHBr radical were obtained using a second-law method. The result for the entropy value for the CH 3 CHBr radical is 305 ± 9 J K -1 mol -1 . The results for the enthalpy of formation values at 298 K are (in kJ mol -1 ): 133.4 ± 3.4 (CH 3 CHBr) and 199.1 ± 2.7 (CHBr 2 ), and for α-C-H bond dissociation energies of analogous compounds are (in kJ mol -1 ): 415.0 ± 2.7 (CH 3 CH 2 Br) and 412.6 ± 2.7 (CH 2 Br 2 ), respectively

Hospital clinical trial: Homeopathy (Agraphis nutans 5CH, Thuya occidentalis 5CH, Kalium muriaticum 9CH and Arsenicum iodatum 9CH) as adjuvant, in children with otitis media with effusion.

Science.gov (United States)

Pedrero-Escalas, M F; Jimenez-Antolin, J; Lassaletta, L; Diaz-Saez, G; Gavilán, J

2016-09-01

Otitis media with effusion (OME) is the most common cause of paediatric hearing loss. No single treatment has proved its effectiveness. There is a lack of evidence-based medicine studies in the area of homeopathy. A prospective randomized, double blinded interventional placebo control study was conducted. Patients, from 2 months to 12 years, with OME diagnosed by pneumatic otoscopy (PNO) and tympanometry, were randomized into two groups. Both groups received aerosol therapy (mucolytics and corticosteroids). In addition, the experimental group (EG) received homeopathy (Agraphis nutans 5CH, Thuya Occidentalis 5CH, Kalium muriaticum 9CH and Arsenicum iodatum), and the placebo group (PG) placebo, both of them for 3 months. Patients were evaluated by PNO examination and tympanometry at baseline, at 45 and 90 days. 97 patients were enrolled. In the EG, 61.9% of individuals were cured (PNO went from negative in the 1st visit to positive in the 3rd visit) compared with 56.8% of patients treated with placebo. 4.8% of patients in the EG suffered a recurrence (positive PNO in the 2nd visit changed to negative in the 3rd visit) while 11.4% did in the PG. No significant difference was found. Adverse events were distributed similarly, except in the case of upper respiratory tract infections, which were less frequent in EG (3 vs. 13, p: 0.009). The homeopathic scheme used as adjuvant treatment cannot be claimed to be an effective treatment in children with OME. EUDRACT number: 2011-006086-17, PROTOCOL code: 55005646. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Confidence Gap a její vliv na participaci žen ve vedoucích pozicích

OpenAIRE

Kudrnáčová, Michaela

2016-01-01

Confidence gap a její vliv na participaci žen ve vedoucích pozicích Michaela Kudrnáčová Abstract This thesis is aimed on the gap between male and female confidence and its influence on women in leadership. The paper serves as a summary of the most important current information concerning this topic. The aim is to find the extend of the deficit of women's confidence on participation on women in leadership, and to identify this problem in the Czech context. Depending on the literature and other...

[CH(3)(CH(2))(11)NH(3)]SnI(3): a hybrid semiconductor with MoO(3)-type tin(II) iodide layers.

Science.gov (United States)

Xu, Zhengtao; Mitzi, David B

2003-10-20

The organic-inorganic hybrid [CH(3)(CH(2))(11)NH(3)]SnI(3) presents a lamellar structure with a Sn-I framework isotypic to that of MoO(3). The SnI(3)(-) layer consists of edge and corner-sharing SnI(6) octahedra in which one of the six Sn-I bonds is distinctly elongated (e.g., 3.62 A), indicating lone-pair stereoactivity for the Sn(II) atom. The overall electronic character remains comparable with that of the well-studied SnI(4)(2)(-)-based perovskite semiconductors, such as [CH(3)(CH(2))(11)NH(3)](2)SnI(4), with a red-shifted and broadened exciton peak associated with the band gap, apparently due to the increased dimensionality of the Sn-I framework. The title compound offers, aside from the hybrid perovskites, a new type of solution-processable Sn-I network for potential applications in semiconductive devices.

Syntéza amfifilních helicenů a jejich samoskladba v tenkých vrstvách

Czech Academy of Sciences Publication Activity Database

Holec, Jan; Rybáček, Jiří; Janoušek, Jiří; Bednárová, Lucie; Stará, Irena G.; Starý, Ivo

2016-01-01

Roč. 14, č. 2 (2016), s. 65-66 ISSN 2336-7202. [Mezioborové setkání mladých biologů, biochemiků a chemiků /16./. 10.05.2016-13.05.2016, Milovy] R&D Projects: GA ČR(CZ) GA16-08327S Institutional support: RVO:61388963 Keywords : helicenes * Langmuir-Blodgett thin films * molecular electronics Subject RIV: CC - Organic Chemistry

Analysis of the structural and functional roles of coupling helices in the ATP-binding cassette transporter MsbA through enzyme assays and molecular dynamics simulations.

Science.gov (United States)

Furuta, Tadaomi; Yamaguchi, Tomohiro; Kato, Hiroaki; Sakurai, Minoru

2014-07-08

ATP-binding cassette (ABC) transporters are constructed from some common structural units: the highly conserved nucleotide-binding domains (NBDs), which work as a nucleotide-dependent engine for driving substrate transport, the diverse transmembrane domains (TMDs), which create the translocation pathway, and the coupling helices (CHs), which are located at the NBD-TMD interface. Although the CHs are believed to be essential for NBD-TMD communication, their roles remain unclear. In this study, we performed enzyme assays and molecular dynamics (MD) simulations of the ABC transporter MsbA and two MsbA mutants in which the amino acid residues of one of the CHs were mutated to alanines: (i) wild type (Wt), (ii) CH1 mutant (Mt1), and (iii) CH2 mutant (Mt2). The experiments show that the CH2 mutation decreases the ATPase activity (kcat) compared with that of the Wt (a decrease of 32%), and a nearly equal degree of decrease in the ATP binding affinity (Km) was observed for both Mt1 and Mt2. The MD simulations successfully accounted for several structural and dynamical origins for these experimental observations. In addition, on the basis of collective motion and morphing analyses, we propose that the reverse-rotational motions and noddinglike motions between the NBDs and TMDs are indispensable for the conformational transition between the inward- and outward-facing conformations. In particular, CH2 is significantly important for the occurrence of the noddinglike motion. These findings provide important insights into the structure-function relationship of ABC transporters.

Betaine Phosphate (CH3)3N+CH2COO-.H3PO4 Modification Using D2O

International Nuclear Information System (INIS)

Saryati; Ridwan; Deswita; Sugiantoro, Sugik

2002-01-01

Betaine fosfate (CH 3 ) 3 N + CH 2 COO - .H 3 PO 4 modification by using D 2 O has been studied. This modification was carried out by slowly evaporation the saturated Betaine phosphat in the D 2 O solution in the dry box at 40 o C, until the dry crystal were formed. Based on the NMR data, can be concluded that the exchange process with D has been runed well and Betaine phosphate-D (CH 3 ) 3 N + CH 2 COO - .H 3 PO 4 has been resulted. From the X-ray diffraction pattern data can be concluded that there are a deference in the crystal structure between Betaine phosphate and Betaine phosphate modification result. From the Differential Scanning Colorimeter (DSC) diagram at the range temperature from 30 o C to 250 o C, can be shown that the Betaine phosphate-H has two endothermic transition phase, at 99 o C with a very little adsorbed calor and at 221.50 o C with -26.75 cal/g. Modified Betaine phosphate has also two endothermic transition phase, at 99.86 o C with -1.94 cal/g and at 171.01 o C with -3.48 cal/g. It can be conclosed that the D atom substitution on the H atoms in Betaine phosphate, to change the crystal and the endothermic fase temperature and energy

CH-47F Improved Cargo Helicopter (CH-47F)

Science.gov (United States)

2015-12-01

Confidence Level Confidence Level of cost estimate for current APB: 50% The Confidence Level of the CH-47F APB cost estimate, which was approved on April...M) Initial PAUC Development Estimate Changes PAUC Production Estimate Econ Qty Sch Eng Est Oth Spt Total 10.316 -0.491 3.003 -0.164 2.273 7.378...SAR Baseline to Current SAR Baseline (TY $M) Initial APUC Development Estimate Changes APUC Production Estimate Econ Qty Sch Eng Est Oth Spt Total

Diagnostika diafragmového výboje v kapalinách

OpenAIRE

Hlavatá, Lucie

2009-01-01

Hlavním cílem této práce je diagnostika diafragmového výboje v kapalinách. Ačkoli byla v posledních letech objevena celá řada aplikací elektrického výboje v kapalinách, vlastní mechanismus vzniku tohoto výboje není dosud znám. Z těchto důvodů se tato práce zaměřila na studium dějů předcházejících samotnému zapálení výboje, zápalného napětí, samotného výboje jak v oblastech náhodného průrazu tak i pravidelnému výboji. Použitím roztoků dvou anorganických solí o různých vodivostech práce zkoumal...

Application des spots de sang séché en pharmacologie et en toxicologie

OpenAIRE

Deglon, Julien

2012-01-01

Dans le domaine de l’analyse biomédicale, le sang est de loin la matrice la plus couramment utilisée. Son obtention s’effectue traditionnellement par une ponction veineuse au niveau du bras. Un mode de prélèvement alternatif a fait son apparition dans les années 60 : les spots de sang séché sur papier filtre ou dried blood spots (DBS). Bien que les avantages (simplicité, micro volumes, transport, stockage et sécurité) aient été clairement identifiés, ce mode de prélèvements est longtemps rest...

Study of dynamical properties in β-Tcp/Ch layers

International Nuclear Information System (INIS)

Mina, A.; Caicedo, J. C.; Aperador, W.

2015-01-01

β-Tricalcium phosphate/Chitosan (β-Tcp/Ch) coatings were deposited on 316l stainless steel (316l Ss) substrates by a cathodic electrodeposition technique at different coating compositions. The crystal lattice arrangements were analyzed by X-ray diffraction, and the results indicated that the crystallographic structure of β-Tcp was affected by the inclusion of the chitosan content. The changes in the surface morphology as a function of increasing chitosan in the coatings via scanning electron microscopy and atomic force microscopy showed the root-mean squares hardness of the β-Tcp/Ch coatings decreased by further increasing chitosan percentage. The elastic-plastic characteristics of the coatings were determined by conducting nano indentation test, indicating that the increase if chitosan percentage is directly related to increasing the hardness and elastic modulus of the β-Tcp/Ch coatings. Tribological characterization was performed by scratch test and pin-on-disk test to analyze the changes in the surface wear the β-Tcp/Ch coatings. Finally, the results indicated an improvement in the mechanical and tribological properties of the β-Tcp/Ch coatings as a function of increasing of the chitosan percentage. (Author)

Study of dynamical properties in β-Tcp/Ch layers

Energy Technology Data Exchange (ETDEWEB)

Mina, A.; Caicedo, J. C. [Universidad del Valle, Tribology, Powder Metallurgy and Processing of Solid Recycled Research Group, Cali, Valle del Cauca (Colombia); Aperador, W., E-mail: jacaicedoangulo1@gmail.com [Universidad Militar Nueva Granada, Departamento de Ingenieria, 80 Entrada A La KR11 No. 101, Bogota (Colombia)

2015-07-01

β-Tricalcium phosphate/Chitosan (β-Tcp/Ch) coatings were deposited on 316l stainless steel (316l Ss) substrates by a cathodic electrodeposition technique at different coating compositions. The crystal lattice arrangements were analyzed by X-ray diffraction, and the results indicated that the crystallographic structure of β-Tcp was affected by the inclusion of the chitosan content. The changes in the surface morphology as a function of increasing chitosan in the coatings via scanning electron microscopy and atomic force microscopy showed the root-mean squares hardness of the β-Tcp/Ch coatings decreased by further increasing chitosan percentage. The elastic-plastic characteristics of the coatings were determined by conducting nano indentation test, indicating that the increase if chitosan percentage is directly related to increasing the hardness and elastic modulus of the β-Tcp/Ch coatings. Tribological characterization was performed by scratch test and pin-on-disk test to analyze the changes in the surface wear the β-Tcp/Ch coatings. Finally, the results indicated an improvement in the mechanical and tribological properties of the β-Tcp/Ch coatings as a function of increasing of the chitosan percentage. (Author)

Automatizace útoku MitM na WiFi sítích

OpenAIRE

Vondráček, Martin

2016-01-01

Tato bakalářská práce se zaměřuje na výzkum v oblasti bezpečnosti bezdrátových sítí. Práce přináší studii široce využívaných síťových technologií a principů zajištění bezpečnosti bezdrátových sítí. Analyzované technologie a způsoby zabezpečení trpí slabinami, které mohou být zneužity k provedení útoku MitM . Práce zahrnuje přehled dostupných nástrojů zaměřených na využití jednotlivých slabin. Výsledkem této práce je balíček wifimitm a CLI nástroj, oba implementované v jazyce Python. Balíček p...

From Society and for Society

Institute of Scientific and Technical Information of China (English)

无

2006-01-01

@@ Mr.Zhang went into business in 1993,and started companies in various industries such as real estate,medicine,advertising,food,public transportation,etc.,and formed cross-regional resource sharing and franchises with the main business in public transportation,linking "medicine,food,hotel and transportation".At present,the companies under his name include Guangzhou Sunshine Bus Limited,Guangzhou Yiqi Bus Co.,Ltd.,Guangzhou Chuangda Bus transportation Co.,Ltd.,Guangzhou Bailing Advertisement Co.,Ltd.,Guangzhou Huierjia Real Estate Co.,Ltd.,Guilin Guixiang,Tourism Passenger Transportation Co.,Ltd.,Guangzhou Hongjia Weiye Development Co.,Ltd.,etc.

ChEVAS: Combining Suprarenal EVAS with Chimney Technique

Energy Technology Data Exchange (ETDEWEB)

Torella, Francesco, E-mail: f.torella@liverpool.ac.uk [Royal Liverpool University Hospital, Liverpool Vascular & Endovascular Service (United Kingdom); Chan, Tze Y., E-mail: tze.chan@rlbuht.nhs.uk; Shaikh, Usman, E-mail: usman.shaikh@rlbuht.nhs.uk [Royal Liverpool University Hospital, Department of Radiology (United Kingdom); England, Andrew, E-mail: a.england@salford.ac.uk [University of Salford, Department of Radiography (United Kingdom); Fisher, Robert K., E-mail: robert.fisher@rlbuht.nhs.uk [Royal Liverpool University Hospital, Liverpool Vascular & Endovascular Service (United Kingdom); McWilliams, Richard G., E-mail: richard.mcwilliams@rlbuht.nhs.uk [Royal Liverpool University Hospital, Department of Radiology (United Kingdom)

2015-10-15

Endovascular sealing with the Nellix{sup ®} endoprosthesis (EVAS) is a new technique to treat infrarenal abdominal aortic aneurysms. We describe the use of endovascular sealing in conjunction with chimney stents for the renal arteries (chEVAS) in two patients, one with a refractory type Ia endoleak and an expanding aneurysm, and one with a large juxtarenal aneurysm unsuitable for fenestrated endovascular repair (EVAR). Both aneurysms were successfully excluded. Our report confirms the utility of chEVAS in challenging cases, where suprarenal seal is necessary. We suggest that, due to lack of knowledge on its durability, chEVAS should only been considered when more conventional treatment modalities (open repair and fenestrated EVAR) are deemed difficult or unfeasible.

Ultraviolet spectrum of CH Cygni and VV Cephei

Energy Technology Data Exchange (ETDEWEB)

Faraggiana, R [Osservatorio Astronomico, Trieste, Italy; Hack, M [ESA, Villafranca Satellite Tracking Station, Madrid, Spain

1979-06-01

Results are discussed for low-resolution uv observations of the symbiotic star CH Cyg and of the eclipsing binary VV Cep during chromospheric eclipse following totality. The far-uv and absorption-line spectra of CH Cyg and VV Cep are found to be remarkably similar. It is shown that the energy distribution for CH Cyg is very similar to that of an A0 V star and that the energy distribution for VV Cep is similar to that of an A0-A2 star. Evidence is cited for an extended envelope surrounding the M supergiant component of VV Cep, and an absolute visual magnitude of about -2 is estimated for this system.

Coordination skills in 9 to 11 years old pupils at practical elementary schools in relationship to their degree of intellectual disability [Úroveň vybraných koordinačních schopností 9-11letých žáků základních škol praktických v závislosti na stupni jejich mentálního postižení

Directory of Open Access Journals (Sweden)

Alena Lejčarová

2009-12-01

(including motivation and by the environment they live in. [VÝCHODISKA: Za jedno z hlavních kritérií nezbytné vnitřní diferenciace tělovýchovného procesu na základních školách praktických je považován stupeň mentálního postižení žáků. Doposud však dětem s mentálním postižením, resp. žákům základních škol praktických nebyl v tomto ohledu věnován dostatek pozornosti jak v oblasti výzkumného bádání, tak v tělovýchovné praxi. CÍLE: Cílem realizované studie bylo zjistit úroveň vybraných koordinačních schopností 153 žáků (ve věku 9–11 let na základních školách praktických v Praze s ohledem na stupeň jejich mentálního postižení. METODIKA: K posouzení úrovně vybraných koordinačních schopností bylo použito sedm motorických testů (rytmické, rovnováhové, kinesteticko-diferenciační schopnosti, schopnosti přestavby a sdružování. VÝSLEDKY: Téměř naprosto jednoznačně byly věcně významné rozdíly (užitím Cohenova koeficientu d prokázány mezi žáky s intelektovými schopnostmi v oblasti dolní hranice lehkého mentálního postižení a ostatními s výjimkou těch, jejichž intelektové schopnosti se pohybují na horní hranici lehkého mentálního postižení, a dále mezi těmito žáky a ostatními (hluboký intelektový podprůměr, lehký intelektový podprůměr, průměrné intelektové schopnosti - nižší průměr. Z hlediska průměrných hodnot motorických výkonů lze sledovat jejich přímou vazbu k míře mentálního postižení - klesají s jejím růstem. Nejlepší testová skóre byla překvapivě zaregistrována u žáků s lehkým intelektovým podprůměrem, a nikoliv u žáků s nejvyšší úrovní intelektových schopností. ZÁVĚRY: Rozdílné výsledky v motorických testech žáků základních škol praktických nejsou ryze kauzálně závislé pouze na stupni mentálního postižení, ale i na jeho etiologii. Rovněž je ovlivňují i specifika

High-resolution sub-Doppler infrared spectroscopy of atmospherically relevant Criegee precursor CH2I radicals: CH2 stretch vibrations and "charge-sloshing" dynamics

Science.gov (United States)

Kortyna, A.; Lesko, D. M. B.; Nesbitt, D. J.

2018-05-01

The combination of a pulsed supersonic slit-discharge source and single-mode difference frequency direct absorption infrared spectroscopy permit first high resolution infrared study of the iodomethyl (CH2I) radical, with the CH2I radical species generated in a slit jet Ne/He discharge and cooled to 16 K in the supersonic expansion. Dual laser beam detection and collisional collimation in the slit expansion yield sub-Doppler linewidths (60 MHz), an absolute frequency calibration of 13 MHz, and absorbance sensitivities within a factor of two of the shot-noise limit. Fully rovibrationally resolved direct absorption spectra of the CH2 symmetric stretch mode (ν2) are obtained and fitted to a Watson asymmetric top Hamiltonian with electron spin-rotation coupling, providing precision rotational constants and spin-rotation tensor elements for the vibrationally excited state. Analysis of the asymmetric top rotational constants confirms a vibrationally averaged planar geometry in both the ground- and first-excited vibrational levels. Sub-Doppler resolution permits additional nuclear spin hyperfine structures to be observed, with splittings in excellent agreement with microwave measurements on the ground state. Spectroscopic data on CH2I facilitate systematic comparison with previous studies of halogen-substituted methyl radicals, with the periodic trends strongly correlated with the electronegativity of the halogen atom. Interestingly, we do not observe any asymmetric CH2 stretch transitions, despite S/N ≈ 25:1 on strongest lines in the corresponding symmetric CH2 stretch manifold. This dramatic reversal of the more typical 3:1 antisymmetric/symmetric CH2 stretch intensity ratio signals a vibrational transition moment poorly described by simple "bond-dipole" models. Instead, the data suggest that this anomalous intensity ratio arises from "charge sloshing" dynamics in the highly polar carbon-iodine bond, as supported by ab initio electron differential density plots and

Fluoride and aluminum in teas and tea-based beverages Flúor e alumínio em chás e bebidas à base de chás

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Mitsue Fujimaki Hayacibara

2004-02-01

Full Text Available OBJECTIVE: To evaluate fluoride and aluminum concentration in herbal, black, ready-to-drink, and imported teas available in Brazil considering the risks fluoride and aluminum pose to oral and general health, respectively. METHODS: One-hundred and seventy-seven samples of herbal and black tea, 11 types of imported tea and 21 samples of ready-to-drink tea were divided into four groups: I-herbal tea; II-Brazilian black tea (Camellia sinensis; III-imported tea (Camellia sinensis; IV-ready-to-drink tea-based beverages. Fluoride and aluminum were analyzed using ion-selective electrode and atomic absorption, respectively. RESULTS: Fluoride and aluminum levels in herbal teas were very low, but high amounts were found in black and ready-to-drink teas. Aluminum found in all samples analyzed can be considered safe to general health. However, considering 0.07 mg F/kg/day as the upper limit of fluoride intake with regard to undesirable dental fluorosis, some teas exceed the daily intake limit for children. CONCLUSIONS: Brazilian and imported teas made from Camellia sinensis as well as some tea-based beverages are sources of significant amounts of fluoride, and their intake may increase the risk of developing dental fluorosis.OBJETIVO: Avaliar as concentrações de flúor e alumínio em chás brasileiros de ervas, preto e bebidas a base de chá, como em chás preto importados considerando seus riscos para, respectivamente, a saúde oral e geral. MÉTODOS: Foram analisadas 177 amostras de chá de ervas e chá preto, 11 tipos de chá preto importados e 21 amostras de bebidas à base de chá. Flúor e alumínio foram determinados após infusão dos chás de ervas e pretos. As determinações de flúor e alumínio foram feitas por eletrodo específico e absorção atômica, respectivamente. RESULTADOS: A quantidade de flúor e alumínio encontrada nos chás de erva foi muito baixa, mas foi alta nos chás preto e nas bebidas à base de chá. A quantidade de alum

Limitations and possibilities of low cell number ChIP-seq

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Gilfillan Gregor D

2012-11-01

Full Text Available Abstract Background Chromatin immunoprecipitation coupled with high-throughput DNA sequencing (ChIP-seq offers high resolution, genome-wide analysis of DNA-protein interactions. However, current standard methods require abundant starting material in the range of 1–20 million cells per immunoprecipitation, and remain a bottleneck to the acquisition of biologically relevant epigenetic data. Using a ChIP-seq protocol optimised for low cell numbers (down to 100,000 cells / IP, we examined the performance of the ChIP-seq technique on a series of decreasing cell numbers. Results We present an enhanced native ChIP-seq method tailored to low cell numbers that represents a 200-fold reduction in input requirements over existing protocols. The protocol was tested over a range of starting cell numbers covering three orders of magnitude, enabling determination of the lower limit of the technique. At low input cell numbers, increased levels of unmapped and duplicate reads reduce the number of unique reads generated, and can drive up sequencing costs and affect sensitivity if ChIP is attempted from too few cells. Conclusions The optimised method presented here considerably reduces the input requirements for performing native ChIP-seq. It extends the applicability of the technique to isolated primary cells and rare cell populations (e.g. biobank samples, stem cells, and in many cases will alleviate the need for cell culture and any associated alteration of epigenetic marks. However, this study highlights a challenge inherent to ChIP-seq from low cell numbers: as cell input numbers fall, levels of unmapped sequence reads and PCR-generated duplicate reads rise. We discuss a number of solutions to overcome the effects of reducing cell number that may aid further improvements to ChIP performance.

ChIPBase: a database for decoding the transcriptional regulation of long non-coding RNA and microRNA genes from ChIP-Seq data.

Science.gov (United States)

Yang, Jian-Hua; Li, Jun-Hao; Jiang, Shan; Zhou, Hui; Qu, Liang-Hu

2013-01-01

Long non-coding RNAs (lncRNAs) and microRNAs (miRNAs) represent two classes of important non-coding RNAs in eukaryotes. Although these non-coding RNAs have been implicated in organismal development and in various human diseases, surprisingly little is known about their transcriptional regulation. Recent advances in chromatin immunoprecipitation with next-generation DNA sequencing (ChIP-Seq) have provided methods of detecting transcription factor binding sites (TFBSs) with unprecedented sensitivity. In this study, we describe ChIPBase (http://deepbase.sysu.edu.cn/chipbase/), a novel database that we have developed to facilitate the comprehensive annotation and discovery of transcription factor binding maps and transcriptional regulatory relationships of lncRNAs and miRNAs from ChIP-Seq data. The current release of ChIPBase includes high-throughput sequencing data that were generated by 543 ChIP-Seq experiments in diverse tissues and cell lines from six organisms. By analysing millions of TFBSs, we identified tens of thousands of TF-lncRNA and TF-miRNA regulatory relationships. Furthermore, two web-based servers were developed to annotate and discover transcriptional regulatory relationships of lncRNAs and miRNAs from ChIP-Seq data. In addition, we developed two genome browsers, deepView and genomeView, to provide integrated views of multidimensional data. Moreover, our web implementation supports diverse query types and the exploration of TFs, lncRNAs, miRNAs, gene ontologies and pathways.

Simulasi Numeris Karakteristik Pembakaran CH4/CO2/Udara dan CH4/CO2/O2 pada Counterflow Premixed Burner

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Hangga Wicaksono

2017-08-01

Full Text Available The high amount of CO2 produced in a conventional biogas reactor needs to be considered. A further analysis is needed in order to investigate the effect of CO2 addition especially in thermal and chemical kinetics aspect. This numerical study has been held to analyze the effect of CO2 in CH4/CO2/O­2 and CH4/CO2/Air premixed combustion. In this study one dimensional analisys in a counterflow burner has been performed. The volume fraction of CO2 used in this study was 0%-40% from CH4’s volume fraction, according to the amount of CO2 in general phenomenon. Based on the flammability limits data, the volume fraction of CH4 used was 5-61% in O2 environment and 5-15% in air environment. The results showed a decreasing temperature along with the increasing percentage of CO2 in each mixtures, but the effect was quite smaller especially in stoichiometric and lean mixture. CO2 could affects thermally (by absorbing heat due to its high Cp and also made the production of unburnt fuel species such as CO relatively higher.

Linfadenocromatografia perigástrica com carbono ativado (CH40: estudo experimental Perigastric lymphadenochromatography with activated carbon (CH40: experimental study

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Minao Okawa

2007-09-01

Full Text Available RACIONAL: Procedimento cirúrgico bem instituído e planejado constitui ainda a única terapêutica efetiva para o câncer gástrico. Entretanto, os resultados de cura não têm melhorado significativamente nas últimas décadas, principalmente no ocidente. O principal benefício de introdução endoscópica de corantes na submucosa gástrica está na facilitação de linfadenectomias regradas, podendo facilitar a localização acurada dos linfonodos. Além disso, a linfadenocromatografia possibilita futuras pesquisas para a detecção do linfonodo sentinela e sua aplicabilidade racional e seletiva na indicação precisa da linfadenectomia, principalmente dos grupos de linfonodos de ressecção mais trabalhosa e com maiores possibilidades de complicações. A linfadenocromatografia com carbono ativado (CH40 foi analisada neste estudo experimental (fase 1. OBJETIVOS: Testar a efetividade e inocuidade da linfadenocromatografia com CH40, em três espécies animais diferentes. MÉTODOS: Como preconizado pela Associação Brasileira de Pesquisas Clínicas (Resoluções nº 196/96 e 251/97, CNS/MS, foram utilizados três espécies diferentes de animais: 3 cães, 10 coelhos e 20 ratos. Em todos os cães, a introdução de CH40 na camada submucosa de estômago foi realizada através da endoscopia gástrica e utilizando, cateter de polietileno agulhado, usualmente empregado na esclerose de varizes esofageanas. O período de observação variou de 43 a 125 dias, quando o procedimento cirúrgico foi realizado. Em todos os coelhos e ratos a introdução de CH40 foi realizada através de agulha hipodérmica e seringa insulínica, na região subcutânea inguinal. O período de observação foi de 102 a 105 dias e 110 a 122 dias, respectivamente. RESULTADOS: Nos períodos de observação, desde a injeção até a eutanásia, não se detectou em nenhum animal efeito colateral ou óbito. Nos cães, linfonodos perigástricos foram corados pelo CH40. Em todos os

O chá verde e suas ações como quimioprotetor

OpenAIRE

Wanderlei Schmitz; Alexandre Yukio Saito; Dirceu Estevão; Halha Ostrensky Saridakis

2005-01-01

O chá preto é responsável por 75% do chá consumido no mundo e o chá verde, por apenas 22%. O chá que era consumido como medicamento, passou a ser do gosto popular devido as suas característica organolépticas. Seus componentes flavonóides e catequinas apresentam uma série de atividades biológicas, antioxidante, quimioprotetora, antiinflamatória e anticarcinogênica. Vários estudos vêm sendo desenvolvidos por pesquisadores em varias regiões do mundo para comprovar estas atividades terapêuticas, ...

Modeling ChIP sequencing in silico with applications.

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Zhengdong D Zhang

2008-08-01

Full Text Available ChIP sequencing (ChIP-seq is a new method for genomewide mapping of protein binding sites on DNA. It has generated much excitement in functional genomics. To score data and determine adequate sequencing depth, both the genomic background and the binding sites must be properly modeled. To develop a computational foundation to tackle these issues, we first performed a study to characterize the observed statistical nature of this new type of high-throughput data. By linking sequence tags into clusters, we show that there are two components to the distribution of tag counts observed in a number of recent experiments: an initial power-law distribution and a subsequent long right tail. Then we develop in silico ChIP-seq, a computational method to simulate the experimental outcome by placing tags onto the genome according to particular assumed distributions for the actual binding sites and for the background genomic sequence. In contrast to current assumptions, our results show that both the background and the binding sites need to have a markedly nonuniform distribution in order to correctly model the observed ChIP-seq data, with, for instance, the background tag counts modeled by a gamma distribution. On the basis of these results, we extend an existing scoring approach by using a more realistic genomic-background model. This enables us to identify transcription-factor binding sites in ChIP-seq data in a statistically rigorous fashion.

Transport phenomena in environmental engineering

Science.gov (United States)

Sander, Aleksandra; Kardum, Jasna Prlić; Matijašić, Gordana; Žižek, Krunoslav

2018-01-01

A term transport phenomena arises as a second paradigm at the end of 1950s with high awareness that there was a strong need to improve the scoping of chemical engineering science. At that point, engineers became highly aware that it is extremely important to take step forward from pure empirical description and the concept of unit operations only to understand the specific process using phenomenological equations that rely on three elementary physical processes: momentum, energy and mass transport. This conceptual evolution of chemical engineering was first presented with a well-known book of R. Byron Bird, Warren E. Stewart and Edwin N. Lightfoot, Transport Phenomena, published in 1960 [1]. What transport phenomena are included in environmental engineering? It is hard to divide those phenomena through different engineering disciplines. The core is the same but the focus changes. Intention of the authors here is to present the transport phenomena that are omnipresent in treatment of various process streams. The focus in this chapter is made on the transport phenomena that permanently occur in mechanical macroprocesses of sedimentation and filtration for separation in solid-liquid particulate systems and on the phenomena of the flow through a fixed and a fluidized bed of particles that are immanent in separation processes in packed columns and in environmental catalysis. The fundamental phenomena for each thermal and equilibrium separation process technology are presented as well. Understanding and mathematical description of underlying transport phenomena result in scoping the separation processes in a way that ChEs should act worldwide.

Synthesis and thermolysis of Cp*(C5Me4CH2)TiR complexes

NARCIS (Netherlands)

Luinstra, GA; Brinkmann, PHP; Teuben, JH; Luinstra, Gerrit A.

1997-01-01

Substitution of the chloride in Cp*FvTiCl with MR (Fv = C5Me4CH2; R = Me, CH2SiMe3, CH2CMe3, CH = CH2, M = Li; R = CH2Ph, M = K; R = C3H5, M = MgCl; R = Ph, M = Na . NaCl) gives Cp*FvTiR. NMR spectroscopic evidence points towards a series of structurally related compounds with a bent-sandwich

Úloha anti-annexinových protilátek v reprodukci

Czech Academy of Sciences Publication Activity Database

Ulčová-Gallová, Z.; Mičanová, Z.; Bibková, K.; Kyselová, Vendula; Mukenšnábl, P.; Hadravská, Š.

2004-01-01

Roč. 6, Suppl. 2 (2004), s. 34 ISSN 1212-687X. [Sjezd českých a slovenských klinických imunologů /21./. Brno, 03.11.2004-06.11.2004] R&D Projects: GA MZd NH7400 Keywords : annexin * primary antiphospholipid e syndrome * trophoblast Subject RIV: EC - Immunology

Replacement of CH4 in the hydrate by use of liquid CO2

International Nuclear Information System (INIS)

Ota, Masaki; Morohashi, Kenji; Abe, Yuki; Watanabe, Masaru; Smith, Richard Lee Jr.; Inomata, Hiroshi

2005-01-01

The dynamics of CH 4 replacement in the CH 4 hydrate with saturated liquid CO 2 at 273.2 K was measured with a high pressure optical cell. The results showed that CH 4 in the hydrate gradually moved to the liquid CO 2 phase while CO 2 in the liquid phase penetrated into the hydrate from the quantitative analysis. The decomposing process of the CH 4 hydrate during the replacement was analyzed with in situ Raman spectroscopy, which allowed us to distinguish the cage structure of the CH 4 hydrate and discuss the microscopic view of the replacement in the hydrate. It was found that the decomposition of the medium cage (M-cage) in the CH 4 hydrate proceeded faster than that of the small cage (S-cage). The observed rate difference could be related to the stability of the S-cage in the CH 4 hydrate or the re-formation tendency of CH 4 and water molecules in the S-cage after decomposing the hydrate structure, whereas the guest molecule exchange of CH 4 with CO 2 could occur in the M-cage. Based on the experimental data, we developed a kinetic model for calculation of the CH 4 remaining in the hydrate considering the decomposition rate difference between the M-cage and S-cage in the CH 4 hydrate. The results indicate that the driving force could be the fugacity difference between the fluid phase and the hydrate phase for the replacement process

Effect of pressure on the lean limit flames of H2-CH4-air mixture in tubes

KAUST Repository

Zhou, Zhen; Shoshin, Yuriy; Hernandez Perez, Francisco; van Oijen, Jeroen A.; de Goey, Laurentius P.H.

2017-01-01

The lean limit flames of H2-CH4-air mixtures stabilized inside tubes in a downward flow are experimentally and numerically investigated at elevated pressures ranging from 2 to 5 bar. For the shapes of lean limit flames, a change from ball-like flame to cap-like flame is experimentally observed with the increase of pressure. This experimentally observed phenomenon is qualitatively predicted by numerical simulations. The structure of ball-like and cap-like lean limit flames at all tested pressures is analysed in detail based on the numerical predictions. The results show that the lean limit flames are located inside a recirculation zone at all tested pressures. For the leading edges of the lean limit flames at all tested pressures, the fuel transport is controlled by both convection and diffusion. For the trailing edge of the ball-like lean limit flame at 2 bar, the fuel transport is dominated by diffusion. However, with increasing pressure, the transport contribution caused by convection in the trailing edges of the lean limit flames increases. Finally, the influence of transport and chemistry on the predicted ultra lean flames and lean flammability limit is analysed at elevated pressures.

Effect of pressure on the lean limit flames of H2-CH4-air mixture in tubes

KAUST Repository

Zhou, Zhen

2017-05-25

The lean limit flames of H2-CH4-air mixtures stabilized inside tubes in a downward flow are experimentally and numerically investigated at elevated pressures ranging from 2 to 5 bar. For the shapes of lean limit flames, a change from ball-like flame to cap-like flame is experimentally observed with the increase of pressure. This experimentally observed phenomenon is qualitatively predicted by numerical simulations. The structure of ball-like and cap-like lean limit flames at all tested pressures is analysed in detail based on the numerical predictions. The results show that the lean limit flames are located inside a recirculation zone at all tested pressures. For the leading edges of the lean limit flames at all tested pressures, the fuel transport is controlled by both convection and diffusion. For the trailing edge of the ball-like lean limit flame at 2 bar, the fuel transport is dominated by diffusion. However, with increasing pressure, the transport contribution caused by convection in the trailing edges of the lean limit flames increases. Finally, the influence of transport and chemistry on the predicted ultra lean flames and lean flammability limit is analysed at elevated pressures.

Origin of CH+ in diffuse molecular clouds. Warm H2 and ion-neutral drift

Science.gov (United States)

Valdivia, Valeska; Godard, Benjamin; Hennebelle, Patrick; Gerin, Maryvonne; Lesaffre, Pierre; Le Bourlot, Jacques

2017-04-01

Context. Molecular clouds are known to be magnetised and to display a turbulent and complex structure where warm and cold phases are interwoven. The turbulent motions within molecular clouds transport molecules, and the presence of magnetic fields induces a relative velocity between neutrals and ions known as the ion-neutral drift (vd). These effects all together can influence the chemical evolution of the clouds. Aims: This paper assesses the roles of two physical phenomena which have previously been invoked to boost the production of CH+ under realistic physical conditions: the presence of warm H2 and the increased formation rate due to the ion-neutral drift. Methods: We performed ideal magnetohydrodynamical (MHD) simulations that include the heating and cooling of the multiphase interstellar medium (ISM), and where we treat dynamically the formation of the H2 molecule. In a post-processing step we compute the abundances of species at chemical equilibrium using a solver that we developed. The solver uses the physical conditions of the gas as input parameters, and can also prescribe the H2 fraction if needed. We validate our approach by showing that the H2 molecule generally has a much longer chemical evolution timescale compared to the other species. Results: We show that CH+ is efficiently formed at the edge of clumps, in regions where the H2 fraction is low (0.3-30%) but nevertheless higher than its equilibrium value, and where the gas temperature is high (≳ 300 K). We show that warm and out of equilibrium H2 increases the integrated column densities of CH+ by one order of magnitude up to values still 3-10 times lower than those observed in the diffuse ISM. We balance the Lorentz force with the ion-neutral drag to estimate the ion-drift velocities from our ideal MHD simulations. We find that the ion-neutral drift velocity distribution peaks around 0.04 km s-1, and that high drift velocities are too rare to have a significant statistical impact on the

Formation and dissociation of CO{sub 2} and CO{sub 2}-THF hydrates compared to CH{sub 4} and CH{sub 4}-THF hydrates

Energy Technology Data Exchange (ETDEWEB)

Giavarini, C.; Maccioni, F.; Broggi, A. [Roma Univ. La Sapienza, Roma (Italy). Dept. of Chemical Engineering; Politi, M. [ENEL-RICERCHE, Brindisi (Italy)

2008-07-01

Carbon sequestration involves the removal of greenhouse gases from industrial or utility plant streams and their long term storage so that they cannot interact with the climate system. Different methods for selective carbon dioxide (CO{sub 2}) removal are in commercial use and are based on, gas absorption, membrane process, and cryogenic fractionation. In addition, disposal of captured CO{sub 2} in the ocean and in geological reservoirs has been proposed by researchers. Another challenge is to take advantage of the properties of CO{sub 2} hydrates for carbon sequestration since it could have a number of uses such as chemical production. As such, it is important to understand the hydrate decomposition kinetics during storage, transportation, and disposal. This paper presented a project that involved the separation of carbon dioxide from the flue gases of powers plants, in the form of hydrate. The project also involved the storage, use, and disposal of the hydrate. The purpose of the study was to evaluate the decomposition kinetics of CO{sub 2} hydrate containing different quantities of ice, at low pressures and temperatures between -3 and 0 degrees Celsius. In addition, in order to evaluate the tetrahydrofuran (THF) stabilization effect, the study examined the influence of THF on the formation and decomposition kinetics of mixed THF-methane (CH{sub 4}) and THF-CO{sub 2} hydrates. Preservation tests were conducted to determine the best pressure and temperature conditions for the mixed-hydrates conservation, with reference to the simple hydrates. The paper described the apparatus for the formation and dissociation tests which consisted of a jacketed stainless steel reactor, equipped with stirrer. The paper also described the hydrate formation procedure as well as hydrate characterization. Last, the paper discussed the hydrate dissociation tests that were conducted immediately after hydrate formation in the reactor. It was concluded that the hydrophilic and hydrophobic

Synthesis and gas transport properties of hydroxyl-functionalized polyimides with intrinsic microporosity

KAUST Repository

Ma, Xiaohua

2012-05-08

A newly designed diamine monomer, 3,3,3′,3′-tetramethyl-1, 1′-spirobisindane-5,5′-diamino-6,6′-diol, was successfully used to synthesize two types of polyimides for membrane-based gas separation applications. The novel polymers integrate significant microporosity and polar hydroxyl groups, showing the combined features of polymers of intrinsic microporosity (PIMs) and functional polyimides (PIs). They possess high thermal stability, good solubility, and easy processability for membrane fabrication; the resulting membranes exhibit good permeability owing to the intrinsic microporosity introduced by the highly contorted PIM segments as well as high CO 2/CH 4 selectivity that arises from the hydroxyl groups. The membranes show CO 2/CH 4 selectivities of >20 when tested with a 1:1 CO 2/CH 4 mixture for feed pressures up to 50 bar. In addition, the incorporation of hydroxyl groups and microporosity in the polymers enhances their affinity to water, leading to remarkable water sorption capacities of up to 22 wt % at 35 °C and 95% relative humidity. © 2012 American Chemical Society.

Investigation on thermal evaporated CH3NH3PbI3 thin films

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Youzhen Li

2015-09-01

Full Text Available CH3NH3I, PbI2 and CH3NH3PbI3 films were fabricated by evaporation and characterized with X-ray Photoelectron Spectroscopy (XPS and X-ray diffraction (XRD. The XPS results indicate that the PbI2 and CH3NH3PbI3 films are more uniform and stable than the CH3NH3I film. The atomic ratio of the CH3NH3I, PbI2 and CH3NH3PbI3 films are C:N:I=1.00:1.01:0.70, Pb:I= 1.00:1.91 and C: N: Pb: I = 1.29:1.07:1.00:2.94, respectively. The atomic ratio of CH3NH3PbI3 is very close to that of the ideal perovskite. Small angle x-ray diffraction results demonstrate that the as evaporated CH3NH3PbI3 film is crystalline. The valence band maximum (VBM and work function (WF of the CH3NH3PbI3 film are about 0.85eV and 4.86eV, respectively.

Fabrication and Characterization of CH3NH3PbI3−x−yBrxCly Perovskite Solar Cells

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Atsushi Suzuki

2016-05-01

Full Text Available Fabrication and characterization of CH3NH3PbI3−x−yBrxCly perovskite solar cells using mesoporous TiO2 as electron transporting layer and 2,2′,7,7′-tetrakis-(N,N-di-4-methoxyphenylamino-9,9′-spirobifluorene as a hole-transporting layer (HTL were performed. The purpose of the present study is to investigate role of halogen doping using iodine (I, bromine (Br and chlorine (Cl compounds as dopant on the photovoltaic performance and microstructures of CH3NH3PbI3−x−yBrxCly perovskite solar cells. The X-ray diffraction identified a slight decrease of crystal spacing in the perovskite crystal structure doped with a small amount of I, Br, and Cl in the perovskite compounds. Scanning electron microscopy (SEM and energy dispersive X-ray spectroscopy (EDX showed the perovskite crystal behavior depended on molar ratio of halogen of Pb, I, Br and Cl. Incorporation of the halogen doping into the perovskite crystal structure improved photo generation, carrier diffusion without carrier recombination in the perovskite layer and optimization of electronic structure related with the photovoltaic parameters of open-circuit voltage, short-circuit current density and conversion efficiency. The energy diagram and photovoltaic mechanisms of the perovskite solar cells were discussed in the context of the experimental results.

Selective Generation of the Radical Cation Isomers [CH3CN](•+) and [CH2CNH](•+) via VUV Photoionization of Different Neutral Precursors and Their Reactivity with C2H4.

Science.gov (United States)

Polášek, Miroslav; Zins, Emilie-Laure; Alcaraz, Christian; Žabka, Ján; Křížová, Věra; Giacomozzi, Linda; Tosi, Paolo; Ascenzi, Daniela

2016-07-14

Experimental and theoretical studies have been carried out to demonstrate the selective generation of two different C2H3N(+) isomers, namely, the acetonitrile [CH3CN](•+) and the ketenimine [CH2CNH](•+) radical cations. Photoionization and dissociative photoionization experiments from different neutral precursors (acetonitrile and butanenitrile) have been performed using vacuum ultraviolet (VUV) synchrotron radiation in the 10-15 eV energy range, delivered by the DESIRS beamline at the SOLEIL storage ring. For butanenitrile (CH3CH2CH2CN) an experimental ionization threshold of 11.29 ± 0.05 eV is obtained, whereas the appearance energy for the formation of [CH2CNH](•+) fragments is 11.52 ± 0.05 eV. Experimental findings are fully supported by theoretical calculations at the G4 level of theory (ZPVE corrected energies at 0 K), giving a value of 11.33 eV for the adiabatic ionization energy of butanenitrile and an exothermicity of 0.49 for fragmentation into [CH2CNH](•+) plus C2H4, hampered by an energy barrier of 0.29 eV. The energy difference between [CH3CN](•+) and [CH2CNH](•+) is 2.28 eV (with the latter being the lowest energy isomer), and the isomerization barrier is 0.84 eV. Reactive monitoring experiments of the [CH3CN](•+) and [CH2CNH](•+) isomers with C2H4 have been performed using the CERISES guided ion beam tandem mass spectrometer and exploiting the selectivity of ethylene that gives exothermic charge exchange and proton transfer reactions with [CH3CN](•+) but not with [CH2CNH](•+) isomers. In addition, minor reactive channels are observed leading to the formation of new C-C bonds upon reaction of [CH3CN](•+) with C2H4, and their astrochemical implications are briefly discussed.

Palladium-catalysed electrophilic aromatic C-H fluorination

Science.gov (United States)

Yamamoto, Kumiko; Li, Jiakun; Garber, Jeffrey A. O.; Rolfes, Julian D.; Boursalian, Gregory B.; Borghs, Jannik C.; Genicot, Christophe; Jacq, Jérôme; van Gastel, Maurice; Neese, Frank; Ritter, Tobias

2018-02-01

Aryl fluorides are widely used in the pharmaceutical and agrochemical industries, and recent advances have enabled their synthesis through the conversion of various functional groups. However, there is a lack of general methods for direct aromatic carbon-hydrogen (C-H) fluorination. Conventional methods require the use of either strong fluorinating reagents, which are often unselective and difficult to handle, such as elemental fluorine, or less reactive reagents that attack only the most activated arenes, which reduces the substrate scope. A method for the direct fluorination of aromatic C-H bonds could facilitate access to fluorinated derivatives of functional molecules that would otherwise be difficult to produce. For example, drug candidates with improved properties, such as increased metabolic stability or better blood-brain-barrier penetration, may become available. Here we describe an approach to catalysis and the resulting development of an undirected, palladium-catalysed method for aromatic C-H fluorination using mild electrophilic fluorinating reagents. The reaction involves a mode of catalysis that is unusual in aromatic C-H functionalization because no organometallic intermediate is formed; instead, a reactive transition-metal-fluoride electrophile is generated catalytically for the fluorination of arenes that do not otherwise react with mild fluorinating reagents. The scope and functional-group tolerance of this reaction could provide access to functional fluorinated molecules in pharmaceutical and agrochemical development that would otherwise not be readily accessible.

Rhodium-catalyzed C-H functionalization with N-acylsaccharins.

Science.gov (United States)

Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo

2017-01-18

A rhodium-catalyzed C-H functionalization with activated amides by decarbonylation has been developed. Notably, this is the first C-H arylation employing N-acylsaccharins as coupling partners to give biaryls in good to excellent yields. The highlight of the work is the high tolerance of functional groups such as formyl, ester, and vinyl and the use of a removable directing group.

SURVEY OBSERVATIONS OF A POSSIBLE GLYCINE PRECURSOR, METHANIMINE (CH{sub 2}NH)

Energy Technology Data Exchange (ETDEWEB)

Suzuki, Taiki; Ohishi, Masatoshi; Hirota, Tomoya; Saito, Masao [Department of Astronomy, the Graduate University for Advanced Studies (SOKENDAI), Osawa 2-21-1, Mitaka, Tokyo 181-8588 (Japan); Majumdar, Liton; Wakelam, Valentine, E-mail: taiki.suzuki@nao.ac.jp [Univ. Bordeaux, LAB, UMR 5804, F-33270, Floirac (France)

2016-07-01

We conducted survey observations of a glycine precursor, methanimine, or methylenimine (CH{sub 2}NH), with the Nobeyama Radio Observatory 45 m telescope and the Sub-Millimeter Radio telescope toward 12 high-mass and two low-mass star-forming regions in order to increase the number of known CH{sub 2}NH sources and to better understand the characteristics of CH{sub 2}NH sources. As a result of our survey, CH{sub 2}NH was detected in eight sources, including four new sources. The estimated fractional abundances were ∼10{sup −8} in Orion KL and G10.47+0.03, while they were ∼10{sup −9} toward the other sources. Our hydrogen recombination line and past studies suggest that CH{sub 2}NH-rich sources have less (this mean not so evolved) evolved H ii regions. The lower destruction rates from UV flux from the central star would contribute to the high CH{sub 2}NH abundances toward CH{sub 2}NH-rich sources. Our gas-grain chemical simulations suggest that CH{sub 2}NH is mostly formed in the gas phase by neutral–neutral reactions, rather than being the product of thermal evaporation from dust surfaces.

Radiative association of CH3(+) and H2

International Nuclear Information System (INIS)

Bates, D.R.

1985-01-01

The temperature variation of the rate coefficient for k(1) for CH3(+) + H2 yields CH5(+) + hv is computed treating the para and ortho forms of H2 separately, taking account of nuclear spin and using an accurate theory of the kinetics of association. The results are made absolute with the aid of the measurement at 13 K by Barlow et al. (1984). By combining this measurement with the CH5(+) vibrational frequencies obtained by Pople (1984) from a quantal study, it is deduced that the probability of the stabilizing radiative transition is 5400/s. The rate coefficients k(1) (T, para) and k(1) (T, ortho) are given at 13 K, 30 K, and 80 K. 23 references

Atmospheric chemistry and transport modeling in the outer solar system

Science.gov (United States)

Lee, Yuan-Tai (Anthony)

2001-11-01

This thesis consists of 1-D and 2-D photochemical- dynamical modeling in the upper atmospheres of outer planets. For 1-D modeling, a unified hydrocarbon photochemical model has been studied in Jupiter, Saturn, Uranus, Neptune, and Titan, by comparing with the Voyager observations, and the recent measurements of methyl radicals by ISO in Saturn and Neptune. The CH3 observation implies a kinetically sensitive test to the measured and estimated hydrocarbon rate constants at low temperatures. We identify the key reactions that control the concentrations of CH3 in the model, such as the three-body recombination reaction, CH3 + CH3 + M --> C 2H6 + M, and the recycling reaction H + CH3 + M --> CH4 + M. The results show reasonable agreement with ISO values. In Chapter 4, the detection of PH3 in the lower stratosphere and upper troposphere of Jupiter has provided a photochemical- dynamical coupling model to derive the eddy diffusion coefficient in the upper troposphere of Jupiter. Using a two-layers photochemical model with updated photodissociation cross-sections and chemical rate constants for NH3 and PH 3, we find that the upper tropospheric eddy diffusion coefficient 106 cm2 sec-1, are required to match the derived PH3 vertical profile by the observation. The best-fit functional form derivation of eddy diffusion coefficient in the upper troposphere of Jupiter above 400 mbar is K = 2.0 × 104 (n/2.2 × 1019)-0.5 cm 2 sec-1. On the other hand, Chapter 5 demonstrates a dynamical-only 2-D model of C2H6 providing a complete test for the current 2-D transport models in Jovian lower stratosphere and upper troposphere (270 to 0.1 mbar pressure levels). Different combinations of residual advection, horizontal eddy dispersion, and vertical eddy mixing are examined at different latitudes.

Infrared absorption of CH3OSO and CD3OSO radicals produced upon photolysis of CH3OS(O)Cl and CD3OS(O)Cl in p-H2 matrices

International Nuclear Information System (INIS)

Lee, Yu-Fang; Kong, Lin-Jun; Lee, Yuan-Pern

2012-01-01

Irradiation at 239 ± 20 nm of a p-H 2 matrix containing methoxysulfinyl chloride, CH 3 OS(O)Cl, at 3.2 K with filtered light from a medium-pressure mercury lamp produced infrared (IR) absorption lines at 3028.4 (attributable to ν 1 , CH 2 antisymmetric stretching), 2999.5 (ν 2 , CH 3 antisymmetric stretching), 2950.4 (ν 3 , CH 3 symmetric stretching), 1465.2 (ν 4 , CH 2 scissoring), 1452.0 (ν 5 , CH 3 deformation), 1417.8 (ν 6 , CH 3 umbrella), 1165.2 (ν 7 , CH 3 wagging), 1152.1 (ν 8 , S=O stretching mixed with CH 3 rocking), 1147.8 (ν 9 , S=O stretching mixed with CH 3 wagging), 989.7 (ν 10 , C-O stretching), and 714.5 cm -1 (ν 11 , S-O stretching) modes of syn-CH 3 OSO. When CD 3 OS(O)Cl in a p-H 2 matrix was used, lines at 2275.9 (ν 1 ), 2251.9 (ν 2 ), 2083.3 (ν 3 ), 1070.3 (ν 4 ), 1056.0 (ν 5 ), 1085.5 (ν 6 ), 1159.7 (ν 7 ), 920.1 (ν 8 ), 889.0 (ν 9 ), 976.9 (ν 10 ), and 688.9 (ν 11 ) cm -1 appeared and are assigned to syn-CD 3 OSO; the mode numbers correspond to those used for syn-CH 3 OSO. The assignments are based on the photolytic behavior and a comparison of observed vibrational wavenumbers, infrared intensities, and deuterium isotopic shifts with those predicted with the B3P86/aug-cc-pVTZ method. Our results extend the previously reported four transient IR absorption bands of gaseous syn-CH 3 OSO near 2991, 2956, 1152, and 994 cm -1 to 11 lines, including those associated with C-O, O-S, and S=O stretching modes. Vibrational wavenumbers of syn-CD 3 OSO are new. These results demonstrate the advantage of a diminished cage effect of solid p-H 2 such that the Cl atom, produced via UV photodissociation of CH 3 OS(O)Cl in situ, might escape from the original cage to yield isolated CH 3 OSO radicals.

Infrared absorption of CH3OSO and CD3OSO radicals produced upon photolysis of CH3OS(O)Cl and CD3OS(O)Cl in p-H2 matrices.

Science.gov (United States)

Lee, Yu-Fang; Kong, Lin-Jun; Lee, Yuan-Pern

2012-03-28

Irradiation at 239 ± 20 nm of a p-H(2) matrix containing methoxysulfinyl chloride, CH(3)OS(O)Cl, at 3.2 K with filtered light from a medium-pressure mercury lamp produced infrared (IR) absorption lines at 3028.4 (attributable to ν(1), CH(2) antisymmetric stretching), 2999.5 (ν(2), CH(3) antisymmetric stretching), 2950.4 (ν(3), CH(3) symmetric stretching), 1465.2 (ν(4), CH(2) scissoring), 1452.0 (ν(5), CH(3) deformation), 1417.8 (ν(6), CH(3) umbrella), 1165.2 (ν(7), CH(3) wagging), 1152.1 (ν(8), S=O stretching mixed with CH(3) rocking), 1147.8 (ν(9), S=O stretching mixed with CH(3) wagging), 989.7 (ν(10), C-O stretching), and 714.5 cm(-1) (ν(11), S-O stretching) modes of syn-CH(3)OSO. When CD(3)OS(O)Cl in a p-H(2) matrix was used, lines at 2275.9 (ν(1)), 2251.9 (ν(2)), 2083.3 (ν(3)), 1070.3 (ν(4)), 1056.0 (ν(5)), 1085.5 (ν(6)), 1159.7 (ν(7)), 920.1 (ν(8)), 889.0 (ν(9)), 976.9 (ν(10)), and 688.9 (ν(11)) cm(-1) appeared and are assigned to syn-CD(3)OSO; the mode numbers correspond to those used for syn-CH(3)OSO. The assignments are based on the photolytic behavior and a comparison of observed vibrational wavenumbers, infrared intensities, and deuterium isotopic shifts with those predicted with the B3P86∕aug-cc-pVTZ method. Our results extend the previously reported four transient IR absorption bands of gaseous syn-CH(3)OSO near 2991, 2956, 1152, and 994 cm(-1) to 11 lines, including those associated with C-O, O-S, and S=O stretching modes. Vibrational wavenumbers of syn-CD(3)OSO are new. These results demonstrate the advantage of a diminished cage effect of solid p-H(2) such that the Cl atom, produced via UV photodissociation of CH(3)OS(O)Cl in situ, might escape from the original cage to yield isolated CH(3)OSO radicals.

Catalyst- and Reagent-free Electrochemical Azole C-H Amination.

Science.gov (United States)

Qiu, Youai; Struwe, Julia; Meyer, Tjark H; Oliveira, Joao Carlos Agostinho Carlos Agostinho; Ackermann, Lutz

2018-06-14

Catalyst-, and chemical oxidant-free electrochemical azole C-H aminations were accomplished via cross-dehydrogenative C-H/N-H functionalization. The catalyst-free electrochemical C-H amination proved feasible on azoles with high levels of efficacy and selectivity, avoiding the use of stoichiometric oxidants under ambient conditions. Likewise, the C(sp3)-H nitrogenation proved viable under otherwise identical conditions. The dehydrogenative C-H amination featured ample scope, including cyclic and acyclic aliphatic amines as well as anilines, and employed sustainable electricity as the sole oxidant. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atmospheric chemistry of cyc-CF2CF2CF2CH=CH-: Kinetics, products, and mechanism of gas-phase reaction with OH radicals, and atmospheric implications

Science.gov (United States)

Guo, Qin; Zhang, Ni; Uchimaru, Tadafumi; Chen, Liang; Quan, Hengdao; Mizukado, Junji

2018-04-01

The rate constants for the gas-phase reactions of cyc-CF2CF2CF2CH=CH- with OH radicals were determined by a relative rate method between 253 and 328 K. The rate constant k1 at 298 K was measured to be (1.08 ± 0.04) × 10-13 cm3 molecule-1 s-1, and the Arrhenius expression was k1 = (3.72 ± 0.14) × 10-13 exp [(-370 ± 12)/T]. The atmospheric lifetime of cyc-CF2CF2CF2CH=CH- was calculated to be 107 d. The products and mechanism for the reaction of cyc-CF2CF2CF2CH=CH- with OH radicals were also investigated. CO, CO2, and COF2 were identified as the main carbon-containing products following the OH-initiated reaction. Moreover, the radiative efficiency (RE) was determined to be 0.143 W m-2 ppb-1, and the global warming potentials (GWPs) for 20, 100, and 500 yr were 54, 15, and 4, respectively. The photochemical ozone creation potential of the title compound was estimated to be 1.3.