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Showing papers in "Lawrence Berkeley National Laboratory in 2007"


Journal Article
TL;DR: Denman et al. as discussed by the authors presented the Couplings between changes in the climate system and biogeochemistry Coordinating Lead Authors: Kenneth L. Denman (Canada), Guy Brasseur (USA, Germany), Amnat Chidthaisong (Thailand), Philippe Ciais (France), Peter M. Cox (UK), Robert E. Austin (USA), D.B. Wofsy (USA) and Xiaoye Zhang (China).
Abstract: Couplings Between Changes in the Climate System and Biogeochemistry Coordinating Lead Authors: Kenneth L. Denman (Canada), Guy Brasseur (USA, Germany) Lead Authors: Amnat Chidthaisong (Thailand), Philippe Ciais (France), Peter M. Cox (UK), Robert E. Dickinson (USA), Didier Hauglustaine (France), Christoph Heinze (Norway, Germany), Elisabeth Holland (USA), Daniel Jacob (USA, France), Ulrike Lohmann (Switzerland), Srikanthan Ramachandran (India), Pedro Leite da Silva Dias (Brazil), Steven C. Wofsy (USA), Xiaoye Zhang (China) Contributing Authors: D. Archer (USA), V. Arora (Canada), J. Austin (USA), D. Baker (USA), J.A. Berry (USA), R. Betts (UK), G. Bonan (USA), P. Bousquet (France), J. Canadell (Australia), J. Christian (Canada), D.A. Clark (USA), M. Dameris (Germany), F. Dentener (EU), D. Easterling (USA), V. Eyring (Germany), J. Feichter (Germany), P. Friedlingstein (France, Belgium), I. Fung (USA), S. Fuzzi (Italy), S. Gong (Canada), N. Gruber (USA, Switzerland), A. Guenther (USA), K. Gurney (USA), A. Henderson-Sellers (Switzerland), J. House (UK), A. Jones (UK), C. Jones (UK), B. Karcher (Germany), M. Kawamiya (Japan), K. Lassey (New Zealand), C. Le Quere (UK, France, Canada), C. Leck (Sweden), J. Lee-Taylor (USA, UK), Y. Malhi (UK), K. Masarie (USA), G. McFiggans (UK), S. Menon (USA), J.B. Miller (USA), P. Peylin (France), A. Pitman (Australia), J. Quaas (Germany), M. Raupach (Australia), P. Rayner (France), G. Rehder (Germany), U. Riebesell (Germany), C. Rodenbeck (Germany), L. Rotstayn (Australia), N. Roulet (Canada), C. Sabine (USA), M.G. Schultz (Germany), M. Schulz (France, Germany), S.E. Schwartz (USA), W. Steffen (Australia), D. Stevenson (UK), Y. Tian (USA, China), K.E. Trenberth (USA), T. Van Noije (Netherlands), O. Wild (Japan, UK), T. Zhang (USA, China), L. Zhou (USA, China) Review Editors: Kansri Boonpragob (Thailand), Martin Heimann (Germany, Switzerland), Mario Molina (USA, Mexico) This chapter should be cited as: Denman, K.L., G. Brasseur, A. Chidthaisong, P. Ciais, P.M. Cox, R.E. Dickinson, D. Hauglustaine, C. Heinze, E. Holland, D. Jacob, U. Lohmann, S Ramachandran, P.L. da Silva Dias, S.C. Wofsy and X. Zhang, 2007: Couplings Between Changes in the Climate System and Biogeochemistry. In: Climate Change 2007: The Physical Science Basis. Contribution of Working Group I to the Fourth Assessment Report of the Intergovernmental Panel on Climate Change [Solomon, S., D. Qin, M. Manning, Z. Chen, M. Marquis, K.B. Averyt, M.Tignor and H.L. Miller (eds.)]. Cambridge University Press, Cambridge, United Kingdom and New York, NY, USA.

2,208 citations


ReportDOI
TL;DR: In this paper, the most energy-efficient processes that are in commercial use in at least one location worldwide are provided for the production of iron and steel, aluminium, cement, pulp and paper, ammonia, and ethylene.
Abstract: "World best practice" energy intensity values, representingthe most energy-efficient processes that are in commercial use in atleast one location worldwide, are provided for the production of iron andsteel, aluminium, cement, pulp and paper, ammonia, and ethylene. Energyintensity is expressed in energy use per physical unit of output for eachof these commodities; most commonly these are expressed in metric tonnes(t). The energy intensity values are provided by major energy-consumingprocesses for each industrial sector to allow comparisons at the processlevel. Energy values are provided for final energy, defined as the energyused at the production facility as well as for primary energy, defined asthe energy used at the production facility as well as the energy used toproduce the electricity consumed at the facility. The "best practice"figures for energy consumption provided in this report should beconsidered as indicative, as these may depend strongly on the materialinputs.

204 citations


Journal Article
TL;DR: The structure and function of CRISPRs are discussed and the implications of this new antiviral mechanism in bacteria are discussed.
Abstract: CRISPR – a widespread system that provides acquired resistance against phages in bacteria and archaea Rotem Sorek*, Victor Kunin and Philip Hugenholtz Joint Genome Institute, 2800 Mitchell Drive, Walnut Creek, CA 94598 * Corresponding author: rsorek@lbl.gov Abstract Arrays of clustered, regularly spaced short palindromic repeats (CRISPR) are widespread in the genomes of many bacteria and almost all archaea. These arrays are composed of direct repeats sized 24-47 bp separated by similarly sized non-repetitive sequences (spacers). It was recently experimentally shown that CRISPR arrays, along with a group of associated proteins, confer resistance to phage. Following exposure to phage, bacteria integrate new spacer sequences that are derived from the phage genome. Acquisition of these spacers enables the bacterial cell to shutdown the phage attack, presumably by an RNA-interference-like mechanism. This Progress discusses the structure and function of CRISPRs and the implications of this new antiviral mechanism in bacteria.

163 citations


Journal Article
TL;DR: Salminen et al. as discussed by the authors investigated the properties and toxicities of hydrophobic ionic liquids (ILs) containing 1-methyl-1-propyl pyrrolidinium [MPPyrro] +, 1-ethyl-1 butyl piperidiniam [MBPyrra] +, 1- methyl-1propyl polypropyl (MPPip) +,1-methyl-(1)-1-butyl)-pyrrolidine (MBPiperidine[MPPidinidine] + ], 1
Abstract: Physicochemical properties and toxicities of hydrophobic piperidinium and pyrrolidinium ionic liquids Justin Salminen 1,3 , Nicolas Papaiconomou 1,2 , R Anand Kumar 1 , Jong-Min Lee 1, 2 , John Kerr 3 , John Newman 1,3 and John M Prausnitz 1,2 Department of Chemical Engineering, University of California, Berkeley, CA 94720-1462, USA Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA Environmental Energy Technology Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA Some properties are reported for hydrophobic ionic liquids (IL) containing 1-methyl-1-propyl pyrrolidinium [MPPyrro] + , 1-methyl-1-butyl pyrrolidinium [MBPyrro] + , 1-methyl-1-propyl piperidinium [MPPip] + , 1-methyl-1-butyl piperidinium [MBPip] + , 1-methyl-1- octylpyrrolidinium [MOPyrro] and 1-methyl-1-octylpiperidinium [MOPip] cations These liquids provide new alternatives to pyridinium and imidazolium ILs High thermal stability of an ionic liquid increases safety in applications like rechargeable lithium-ion batteries and other electrochemical devices Thermal properties, ionic conductivities, viscosities, and mutual solubilities with water are reported In addition, toxicities of selected ionic liquids have been measured using a human cancer cell-line The ILs studied here are sparingly soluble in water but hygroscopic We show some structure-property relationships that may help to design green solvents for specific applications While ionic liquids are claimed to be environmentally-benign solvents, as yet few data have been published to support these claims Keywords: Ionic liquids, hydrophobic, piperidinium, pyrrolidinium, properties, safety, toxicity

159 citations


Journal Article
TL;DR: Kane et al. as discussed by the authors performed whole-genome analysis of Methyl tert-Butyl Ether (MTBE)-degrading Beta-Proteobacterium Methylibium petroleiphilum PM1.
Abstract: Kane et al. Title: Whole-Genome Analysis of Methyl tert-Butyl Ether (MTBE)- Degrading Beta-Proteobacterium Methylibium petroleiphilum PM1 Running Title: Genome Sequence Analysis of Methylibium petroleiphilum PM1 Staci R. Kane 1*† , Anu Y. Chakicherla 1* , Patrick S. G. Chain 1,4 , Radomir Schmidt 2 , Maria W. Shin 1 , Tina C. Legler 1 , Kate M. Scow 2 , Frank W. Larimer 3,4 , Susan M. Lucas 4 , Paul M. Richardson 4 , and Krassimira R. Hristova 2 Lawrence Livermore National Laboratory, Livermore, CA; 2 Dept of Land Air and Water Resources, University of California, Davis, CA; 3 Genome Analysis Group, Oak Ridge National Laboratory, Oak Ridge, TN; 4 Joint Genome Institute Production Genomics Facility, Walnut Creek, CA. Designates equal contribution to first authorship, † Corresponding author Email: kane11@llnl.gov Address: Lawrence Livermore National Laboratory, 7000 East Avenue, L-542, Livermore, CA, 94550 Phone: 925-422-7897 Fax: 925-422-3800 Page 1

138 citations


ReportDOI
TL;DR: Using aggregated demand-side resources to provide spinning reserve will give grid operators at the California Independent System Operator and Southern California Edison a powerful, new tool to improve system reliability, prevent rolling blackouts, and lowersystem operating costs.
Abstract: The Demand Response Spinning Reserve project is a pioneeringdemonstration of how existing utility load-management assets can providean important electricity system reliability resource known as spinningreserve. Using aggregated demand-side resources to provide spinningreserve will give grid operators at the California Independent SystemOperator (CAISO) and Southern California Edison (SCE) a powerful, newtool to improve system reliability, prevent rolling blackouts, and lowersystem operating costs.

131 citations


Journal Article
TL;DR: The resulting algorithm, called Robust Alignment and Projection Estimation for Tomographic Reconstruction, or RAPTOR, has not needed any manual intervention for the difficult datasets it has tried, and has provided sub-pixel alignment that is as good as the manual approach by an expert user.
Abstract: Markov Random Field Based Automatic Image Alignment for Electron Tomography Farshid Moussavi ∗ Department of Electrical Engineering Stanford University Stanford, CA 94305 farshid1@stanford.edu Luis R. Comolli Life Sciences Division Lawrence Berkeley National Laboratory Berkeley, CA 94704 lrcomolli@lbl.gov Kenneth H. Downing Life Sciences Division Lawrence Berkeley National Laboratory Berkeley, CA 94704 khdowning@lbl.gov Fernando Amat ∗ Department of Electrical Engineering Stanford University Stanford, CA 94305 famat@stanford.edu Gal Elidan Department of Computer Science Stanford University Stanford, CA 94305 galel@cs.stanford.edu Mark Horowitz Department of Electrical Engineering Stanford University Stanford, CA 94305 horowitz@stanford.edu Introduction Cryo electron tomography (cryo-ET) is the primary method for obtaining 3D reconstructions of intact bacteria, viruses, and complex molecular machines ([7],[2]). It first flash freezes a specimen in a thin layer of ice, and then rotates the ice sheet in a transmission electron microscope (TEM) recording images of different projections through the sample. The resulting images are aligned and then back projected to form the desired 3-D model. The typical resolution of biological electron microscope is on the order of 1 nm per pixel which means that small imprecision in the microscope’s stage or lenses can cause large alignment errors. To enable a high precision alignment, biologists add a small number of spherical gold beads to the sample before it is frozen. These beads generate high contrast dots in the image that can be tracked across projections. Each gold bead can be seen as a marker with a fixed location in 3D, which provides the reference points to bring all the images to a common frame as in the classical structure from motion problem. A high accuracy alignment is critical to obtain a high resolution tomogram (usually on the order of 5-15nm resolution). While some methods try to automate the task of tracking markers and aligning the images ([8],[4]), they require user intervention if the SNR of the image becomes too low. Unfortunately, cryogenic electron tomography (or cryo-ET) often has poor SNR, since the samples are relatively thick (for TEM) and the restricted electron dose usually results in projections with SNR under 0 dB. This paper shows that formulating this problem as a most-likely estimation task yields an approach that is able to automatically align with high precision cryo-ET datasets using inference in graphical models. This approach has been packaged into a publicly available software called RAPTOR-Robust Alignment and Projection estimation for Tomographic Reconstruction. 1 These authors contributed equally to this work. [1] presents an extended version of the results reported in this abstract.

129 citations


Journal Article
TL;DR: This work first analyzed the I/O practices and requirements of current HPC applications and used them as criteria to select a subset of microbenchmarks that reflect the workload requirements, which led to selection of IOR, an I/o benchmark developed by LLNL for the ASCI Purple procurement, as the tool to study theI/O performance on two HPC platforms.
Abstract: The HPC community is preparing to deploy petaflop-scale computing platforms that may include hundreds of thousands to millions of computational cores over the next 3 years. Such explosive growth in concurrency creates daunting challenges for the design and implementation of the I/O system. In this work, we first analyzed the I/O practices and requirements of current HPC applications and used them as criteria to select a subset of microbenchmarks that reflect the workload requirements. Our analysis led to selection of IOR, an I/O benchmark developed by LLNL for the ASCI Purple procurement, as our tool to study the I/O performance on two HPC platforms. We selected parameterizations for IOR that match the requirements of key I/O intensive applications to assess its fidelity in reproducing their performance characteristics.

127 citations


Journal Article
TL;DR: In this paper, a numerical study of long-term gas production from typical representatives of unfractured Class 3 deposits was performed, and it was shown that simple thermal stimulation appears to be a slow and inefficient production method.
Abstract: Gas hydrates are solid crystalline compounds in which gas molecules are lodged within the lattices of ice crystals. Vast amounts of CH4 are trapped in gas hydrates, and a significant effort has recently begun to evaluate hydrate deposits as a potential energy source. Class 3 hydrate deposits are characterized by an isolated Hydrate-Bearing Layer (HBL) that is not in contact with any hydrate-free zone of mobile fluids. The base of the HBL in Class 3 deposits may occur within or at the edge of the zone of thermodynamic hydrate stability.In this numerical study of long-term gas production from typical representatives of unfractured Class 3 deposits, we determine that simple thermal stimulation appears to be a slow and inefficient production method. Electrical heating and warm water injection result in very low production rates (4 and 12 MSCFD, respectively) that are orders of magnitude lower than generally acceptable standards of commercial viability of gas production from oceanic reservoirs. However, production from depressurization-based dissociation based on a constant well pressure appears to be a promising approach even in deposits characterized by high hydrate saturations. This approach allows the production of very large volumes of hydrate-originating gas at high rates (>15 MMSCFD, with a long-term average of about 8.1 MMSCFD for the reference case) for long times using conventional technology. Gas production from hydrates is accompanied by a significant production of water. However, unlike conventional gas reservoirs, the water production rate declines with time. The low salinity of the produced water may require care in its disposal. Because of the overwhelming advantage of depressurization-based methods, the sensitivity analysis was not extendedto thermal stimulation methods. The simulation results indicate that depressurization-induced gas production from oceanic Class 3 deposits increases (and the corresponding water to-gas ratio decreases) with increasing hydrate temperature (which defines the hydrate stability), increasing intrinsic permeability of the HBL, and decreasing hydrate saturation although depletion of the hydrate may complicate the picture in the latter case.

125 citations


Journal Article
Abstract: We report on an infrared spectroscopy study of mobile holes in the accumulation layer of organic fieldeffect transistors based on rubrene single crystals Our data indicate that both transport and infrared properties of these transistors at room temperature are governed by light quasiparticles in molecular orbital bands with the effective masses m ? comparable to free electron mass Furthermore, the m ? values inferred from our experiments are in agreement with those determined from band structure calculations These findings reveal no evidence for prominent polaronic effects, which is at variance with the common beliefs of polaron formation in molecular solids

107 citations


Journal Article
TL;DR: In this paper, the authors focus on developing and comparing three models, ranging from relatively simple extrapolations of past trends in land use based on simple drivers such as population growth to more complex extrapolation of past trend using spatially explicit models of land-use change driven by biophysical and socioeconomic factors.
Abstract: Although forest conservation activities particularly in the tropics offer significant potential for mitigating carbon emissions, these types of activities have faced obstacles in the policy arena caused by the difficulty in determining key elements of the project cycle, particularly the baseline. A baseline for forest conservation has two main components: the projected land-use change and the corresponding carbon stocks in the applicable pools such as vegetation, detritus, products and soil, with land-use change being the most difficult to address analytically. In this paper we focus on developing and comparing three models, ranging from relatively simple extrapolations of past trends in land use based on simple drivers such as population growth to more complex extrapolations of past trends using spatially explicit models of land-use change driven by biophysical and socioeconomic factors. The three models of the latter category used in the analysis at regional scale are The Forest Area Change (FAC) model, the Land Use and Carbon Sequestration (LUCS) model, and the Geographical Modeling (GEOMOD) model. The models were used to project deforestation in six tropical regions that featured different ecological and socioeconomic conditions, population dynamics, and uses of the land: (1) northern Belize; (2) Santa Cruz State, Bolivia; (3) Parana State in Brazil; (4) Campeche, Mexico; (5) Chiapas, Mexico; and (6) Michoacan, Mexico. A comparison of all model outputs across all six regions shows that each model produced quite different deforestation baseline. In general, the simplest FAC model, applied at the national administrative-unit scale, projected the highest amount of forest loss (four out of six) and the LUCS model the least amount of loss (four out of five). Based on simulations of GEOMOD, we found that readily observable physical and biological factors as well as distance to areas of past disturbance were each about twice as important as either sociological/demographic or economic/infrastructure factors (less observable) in explaining empirical land-use patterns. We propose from the lessons learned, a methodology comprised of three main steps and six tasks can be used to begin developing credible baselines. We also propose that the baselines be projected over a 10-year period because, although projections beyond 10 years are feasible, they are likely to be unrealistic for policy purposes. In the first step, an historic land-use change and deforestation estimate is made by determining the analytic domain (size of the region relative to the size of proposed project), obtaining historic data, analyzing candidate historic baseline drivers, and identifying three to four major drivers. In the second step, a baseline of where deforestation is likely to occur --a potential land-use change (PLUC) map is produced using a spatial model such as GEOMOD that uses the key drivers from step one. Then rates of deforestation are projected over a 10-year baseline period using any of the three models. Using the PLUC maps, projected rates of deforestation, and carbon stock estimates, baselineprojections are developed that can be used for project GHG accounting and crediting purposes: The final step proposes that, at agreed interval (eg, +10 years), the baseline assumptions about baseline drivers be re-assessed. This step reviews the viability of the 10-year baseline in light of changes in one or more key baseline drivers (e.g., new roads, new communities, new protected area, etc.). The potential land-use change map and estimates of rates of deforestation could be redone at the agreed interval, allowing the rates and changes in spatial drivers to be incorporated into a defense of the existing baseline, or derivation of a new baseline projection.

ReportDOI
TL;DR: Hopper et al. as discussed by the authors conducted a survey of the U.S. ESCO industry from 2000 to 2006 and found that the ESCO market grew and developed at the same time.
Abstract: LBNL-62679 E RNEST O RLANDO L AWRENCE B ERKELEY N ATIONAL L ABORATORY A Survey of the U.S. ESCO Industry: Market Growth and Development from 2000 to 2006 Principal Authors: Nicole Hopper and Charles Goldman, Lawrence Berkeley National Laboratory Donald Gilligan and Terry E. Singer, National Association of Energy Service Companies Dave Birr, Synchronous Energy Solutions Energy Analysis Department Ernest Orlando Lawrence Berkeley National Laboratory 1 Cyclotron Road, MS 90R4000 Berkeley CA 94720-8136 Environmental Energy Technologies Division May 2007 http://eetd.lbl.gov/ea/EMS/EMS_pubs.html The work described in this report was funded by the Permitting, Siting and Analysis Division of the Office of Electricity Delivery and Energy Reliability and the Office of Energy Efficiency and Renewable Energy, Weatherization and Intergovernmental Program, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

ReportDOI
TL;DR: In this article, a detailed overview of developments and trends in the US wind power market, with a particular focus on 2006, is provided, and the first in what is envisioned to be an ongoing annual series.
Abstract: This report--the first in what is envisioned to be an ongoing annual series--attempts to fill this need by providing a detailed overview of developments and trends in the US wind power market, with a particular focus on 2006

ReportDOI
TL;DR: In this paper, the authors present DR strategies for HVAC systems, summary of DR strategies, case study of advanced demand response, and case studies of demand response in advanced demand management.
Abstract: There are 3 appendices listed: (A) DR strategies for HVAC systems; (B) Summary of DR strategies; and (C) Case study of advanced demand response.

Journal Article
TL;DR: In this article, Piette and Kiliccote present the results of automated critical peak pricing field tests at the Lawrence Berkeley National Laboratory (LBNL) in Berkeley, California.
Abstract: Automated Critical Peak Pricing Field Tests: 2006 Pilot Program Description and Results Mary Ann Piette David Watson Naoya Motegi Sila Kiliccote Lawrence Berkeley National Laboratory MS90R3111 1 Cyclotron Road Berkeley, California 94720 June 19, 2007 LBNL Report Number 62218

Journal Article
TL;DR: It is suggested that epigenetic transcriptome changes, more than genotypic variation, account for age-associated differences in sporadic breast cancer incidence and prognosis.
Abstract: Breast Cancer Research This Provisional PDF corresponds to the article as it appeared upon acceptance. Copyedited and fully formatted PDF and full text (HTML) versions will be made available soon. Aging impacts transcriptome but not genome of hormone-dependent breast cancers Breast Cancer Research 2007, 9:R59 doi:10.1186/bcr1765 Christina Yau (cyau@buckinstitute.org) Vita Fedele (VFedele@cc.ucsf.edu) Ritu Roydasgupta (roydasgupta@cc.ucsf.edu) Jane Fridlyand (jfridlyand@cc.ucsf.edu) Alan Hubbard (hubbard@stat.Berkeley.EDU) Joe W Gray (JWGray@lbl.gov) Karen Chew (chew@cc.ucsf.edu) Shanaz H Dairkee (DairkeS@cpmcri.org) Dan H Moore (moore@cc.ucsf.edu) Francesco Schittulli (f.schittulli@oncologico.bari.it) Stefania Tommasi (s.tommasi@oncologico.bari.it) Angelo Paradiso (a.paradiso@oncologico.bari.it) Donna G Albertson (albertson@cc.ucsf.edu) Christopher C Benz (cbenz@buckinstitute.org) ISSN Article type Submission date Acceptance date Publication date Article URL Research article 20 July 2007 12 September 2007 12 September 2007 http://breast-cancer-research.com/content/9/5/R59 This peer-reviewed article was published immediately upon acceptance. It can be downloaded, printed and distributed freely for any purposes (see copyright notice below). Articles in Breast Cancer Research are listed in PubMed and archived at PubMed Central. For information about publishing your research in Breast Cancer Research go to http://breast-cancer-research.com/info/instructions/ © 2007 Yau et al., licensee BioMed Central Ltd. This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Journal Article
TL;DR: The Working Group III contribution to the IPCC Fourth Assessment Report (AR4) focuses on new literature on the scientific, technological, environmental, economic and social aspects of mitigation of climate change as mentioned in this paper.
Abstract: A Introduction 1 The Working Group III contribution to the IPCC Fourth Assessment Report (AR4) focuses on new literature on the scientific, technological, environmental, economic and social aspects of mitigation of climate change, published since the IPCC Third Assessment Report (TAR) and the Special Reports on COB2B Capture and Storage (SRCCS) and on Safeguarding the Ozone Layer and the Global Climate System (SROC) The following summary is organised into six sections after this introduction: - Greenhouse gas (GHG) emission trends, - Mitigation in the short and medium term, across different economic sectors (until 2030), - Mitigation in the long-term (beyond 2030), - Policies, measures and instruments to mitigate climate change, - Sustainable development and climate change mitigation, - Gaps in knowledge References to the corresponding chapter sections are indicated at each paragraph in square brackets An explanation of terms, acronyms and chemical symbols used in this SPM can be found in the glossary to the main report

Journal Article
TL;DR: In this paper, the quantum instanton approximation is used to compute kinetic isotope estimators for intramolecular hydrogen transfer in cis-1,3-pentadiene.
Abstract: Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadiene Jiˇ ´ Van´ cek 1, 2, ∗ and William H. Miller 1 r i Department of Chemistry and Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, Berkeley, CA 94720 Simons Center for Systems Biology, (Dated: June 13, 2007) Institute for Advanced Study, Princeton, New Jersey 08540 Abstract The quantum instanton approximation is used to compute kinetic isotope effects for intramolecu- lar hydrogen transfer in cis-1,3-pentadiene. Due to the importance of skeleton motions, this system with 13 atoms is a simple prototype for hydrogen transfer in enzymatic reactions. The calcula- tion is carried out using thermodynamic integration with respect to the mass of the isotopes and a path integral Monte Carlo evaluation of relevant thermodynamic quantities. Efficient “virial” estimators are derived for the logarithmic derivatives of the partition function and the delta-delta correlation functions. These estimators require significantly fewer Monte Carlo samples since their statistical error does not increase with the number of discrete time slices in the path integral. The calculation treats all 39 degrees of freedom quantum-mechanically and uses an empirical valence bond potential based on a modified general AMBER force field.

Journal Article
TL;DR: In this article, the authors present a speculative extrapolation of the performance aspects of an atmospheric general circulation model to ultra-high resolution and describe alternative technological paths to realize integration of such a model in the relatively near future.
Abstract: We present a speculative extrapolation of the performance aspects of an atmospheric general circulation model to ultra-high resolution and describe alternative technological paths to realize integration of such a model in the relatively near future. Due to a superlinear scaling of the computational burden dictated by stability criterion, the solution of the equations of motion dominate the calculation at ultra-high resolutions. From this extrapolation, it is estimated that a credible kilometer scale atmospheric model would require at least a sustained ten petaflop computer to provide scientifically useful climate simulations. Our design study portends an alternate strategy for practical power-efficient implementations of petaflop scale systems. Embedded processor technology could be exploited to tailor a custom machine designed to ultra-high climate model specifications at relatively affordable cost and power considerations. The major conceptual changes required by a kilometer scale climate model are certain to be difficult to implement. Although the hardware, software, and algorithms are all equally critical in conducting ultra-high climate resolution studies, it is likely that the necessary petaflop computing technology will be available in advance of a credible kilometer scale climate model.

Journal Article
TL;DR: Slater et al. as discussed by the authors measured Spectral Induced Polarization (SIP) signatures in sand columns during FeS biomineralization produced by sulfate reducing bacteria (D. vulgaris) under anaerobic conditions, and subsequent subsequent FeS dissolution upon return to an aerobic state.
Abstract: Pore-scale Spectral Induced Polarization (SIP) signatures associated with FeS biomineral transformations Lee Slater , Dirnitrios Ntarlagiannis *, Yves R. Personna and Susan Hubbard 1. Department of Earth & Environmental Sciences, Rutgers-Newark, New Jersey, USA 2. Lawrence Berkeley National Laboratory, Berkeley, California, U S A # Now at School of Planning, Architecture and Civil Engineering, Queen's University Belfast, Belfast, U K Abstract We measured Spectral Induced Polarization (SIP) signatures in sand columns during (1) FeS biomineralization produced by sulfate reducing bacteria (D. vulgaris) under anaerobic conditions, and (2) subsequent biomineral dissolution upon return to an aerobic state. The low-frequency (0.1-10 Hz peak) relaxations produced during biomineralization can be modeled with a Cole-Cole formulation, from which the evolution of the polarization magnitude and relaxation length scale can be estimated. We find that the modeled time constant is consistent with the polarizable elements being biomineral encrusted pores. Evolution of the model parameters is consistent with FeS surface area increases and pore-size reduction during biomineral growth, and subsequent biomineral dissolution (FeS surface area decreases and pore expansion) upon return to the aerobic state. We conclude that SIP signatures are diagnostic of pore-scale geometrical changes associated with FeS biomineralization by sulfate reducing bacteria.

ReportDOI
TL;DR: In this article, the treatment of renewable energy attributes in state RPS rules is summarized, and the degree to which unbundled renewable energy certificates are allowed under existing RPS programs and the status of systems to track both renewable energy and electricity attributes.
Abstract: Twenty-one states and the District of Columbia have adopted mandatory renewables portfolio standards (RPS) over the last ten years. Renewable energy attributes-such as the energy source, conversion technology, plant location and vintage, and emissions-are usually required to verify compliance with these policies, sometimes through attributes bundled with electricity, and sometimes with the attributes unbundled from electricity and traded separately as renewable energy certificates (RECs). This report summarizes the treatment of renewable energy attributes in state RPS rules. Its purpose is to provide a source of information for states considering RPS policies, and also to draw attention to certain policy issues that arise when renewable attributes and RECs are used for RPS compliance. Three specific issues are addressed: (1) the degree to which unbundled RECs are allowed under existing state RPS programs and the status of systems to track RECs and renewable energy attributes; (2) definitions of the renewable energy attributes that must be included in order to meet state RPS obligations, including the treatment of available emissions allowances; and (3) state policies on whether renewable energy or RECs sold through voluntary green power transactions may count towards RPS obligations.

Journal Article
TL;DR: Cohen et al. as mentioned in this paper found that a common allele on chromosome 9 associated with coronary heart disease (CA) is associated with high blood cholesterol and high blood glucose levels in patients.
Abstract: A common allele on chromosome 9 associated with coronary heart disease Ruth McPherson 1* , Alexander Pertsemlidis 2* , Nihan Kavaslar 1 , Alexandre Stewart 1 , Robert Roberts 1 , David R. Cox 3 , David Hinds 3 , Len Pennachio 4 , Anne Tybjaerg-Hansen 5 , Aaron R. Folsom 6 , Eric Boerwinkle 7 , Helen H. Hobbs 2,9 Jonathan C. Cohen 2,8 Division of Cardiology, University of Ottawa Heart Institute, Ottawa, Canada, K1Y4W7; Donald W. Reynolds Cardiovascular Clinical Research Center and the Eugene McDermott Center for Human Growth and Development, University of Texas Southwestern Medical Center, Dallas, TX, 75390; 3 Perlegen Sciences, Mountain View, California; 94043; Genomics Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 USA & U.S. Department of Energy Joint Genome Institute, Walnut Creek, California 94598 USA; 5 Department of Clinical Biochemistry, Rigshospitalet, Copenhagen University Hospital, Copenhagen, DK-2100, Denmark; 6 Division of Epidemiology and Community Health, University of Minnesota, Minneapolis, MN, 55454; 7 Human Genetics Center and Institute for Molecular Medicine, University of Texas Health Science Center, Houston, TX, 77030; 8 Center for Human Nutrition and the 9 Howard Hughes Medical Institute at the University of Texas Southwestern Medical Center, Dallas, TX. 75390 *Ruth McPherson and Alexander Pertsemlidis contributed equally to this work. Running Head: A common allele associated with CHD To whom correspondence should be addressed: E-mail: jonathan.cohen@utsouthwestern.edu or rmcphers@ottawaheart.ca

Journal Article
TL;DR: In this paper, the authors summarized the current scientific evidence that improved indoor environmental quality can improve work performance and health, and provided quantitative relationships for the linkages of work performance with indoor temperature and outdoor air ventilation rate.
Abstract: SUMMARY This paper summarizes the current scientific evidence that improved indoor environmental quality can improve work performance and health. The review indicates that work and school work performance is affected by indoor temperature and ventilation rate. Pollutant source removal can sometimes improve work performance. Based on formal statistical analyses of existing research results, quantitative relationships are provided for the linkages of work performance with indoor temperature and outdoor air ventilation rate. The review also indicates that improved health and related financial savings are obtainable from reduced indoor tobacco smoking, prevention and remediation of building dampness, and increased ventilation. Example cost-benefit analyses indicate that many measures to improve indoor temperature control and increase ventilation rates will be highly cost effective, with benefitcost ratios as high as 80 and annual economic benefits as high as $700 per person.

Journal Article
TL;DR: A surface engineering approach that uses a covalently bound short peptide as a mediator to pattern cells with improved single cell adhesion and prolonged cellular viability on gold patterned SiO2 substrates is demonstrated.
Abstract: Single cell patterning holds important implications for biology, biochemistry, biotechnology, medicine, and bioinformatics. The challenge for single cell patterning is to produce small islands hosting only single cells and retaining their viability for a prolonged period of time. This study demonstrated a surface engineering approach that uses a covalently bound short peptide as a mediator to pattern cells with improved single cell adhesion and prolonged cellular viability on gold patterned SiO2 substrates. The underlying hypothesis is that cell adhesion is regulated bythe type, availability, and stability of effective cell adhesion peptides, and thus covalently bound short peptides would promote cell spreading and, thus, single cell adhesion and viability. The effectiveness of this approach and the underlying mechanism for the increased probability of single cell adhesion and prolonged cell viability by short peptides were studied by comparing cellular behavior of human umbilical cord vein endothelial cells on three modelsurfaces whose gold electrodes were immobilized with fibronectin, physically adsorbed Arg-Glu-Asp-Val-Tyr, and covalently bound Lys-Arg-Glu-Asp-Val-Tyr, respectively. The surface chemistry and binding properties were characterized by reflectance Fourier transform infrared spectroscopy. Both short peptides were superior to fibronectin in producing adhesion of only single cells, whereas the covalently bound peptide also reduced apoptosis and necrosisof adhered cells. Controlling cell spreading by peptide binding domains to regulate apoptosis and viability represents a fundamental mechanism in cell-materials interaction and provides an effective strategy in engineering arrays of single cells.

Proceedings ArticleDOI
TL;DR: The SEMATECH Berkeley Actinic Inspection Tool (AIT) is a dual-mode, scanning and imaging extreme-ultraviolet (EUV) microscope designed for pre-commercial EUV mask research.
Abstract: The SEMATECH Berkeley Actinic Inspection Tool (AIT) is a dual-mode, scanning and imaging extreme-ultraviolet (EUV) microscope designed for pre-commercial EUV mask research. Dramatic improvements in image quality have been made by the replacement of several critical optical elements, and the introduction of scanning illumination to im-prove uniformity and contrast. We report high quality actinic EUV mask imaging with resolutions as low as 100-nm half-pitch, (20-nm, 5× wafer equivalent size), and an assessment of the imaging performance based on several metrics. Modulation transfer function (MTF) measurements show high contrast imaging for features sizes close to the diffraction-limit. An investigation of the illumination coherence shows that AIT imaging is much more coherent than previously anticipated, with σ below 0.2. Flare measurements with several line-widths show a flare contribution on the order of 2-3% relative intensity in dark regions above the 1.3% absorber reflectivity on the test mask used for these experiments. Astigmatism coupled with focal plane tilt are the dominant aberrations we have observed. The AIT routinely records 250-350 high-quality images in numerous through-focus series per 8-hour shift. Typical exposure times range from 0.5 seconds during alignment, to approximately 20 seconds for high-resolution images.

ReportDOI
TL;DR: In this article, a methodology for estimating DR market potential for large, non-residential utility customers that uses price elasticities to account for behavior and prices was proposed, and demonstrated with large customer market potential scenarios at an illustrative Northeastern utility.
Abstract: =Demand response (DR) is increasingly recognized asan essential ingredient to well-functioning electricity markets. DRmarket potential studies can answer questions about the amount of DRavailable in a given area, from which market segments. Several recent DRmarket potential studies have been conducted, most adapting techniquesused to estimate energy-efficiency (EE) potential. In this scoping study,we: reviewed and categorized seven recent DR market potential studies;recommended a methodology for estimating DR market potential for large,non-residential utility customers that uses price elasticities to accountfor behavior and prices; compiled participation rates and elasticityvalues from six DR options offered to large customers in recent years,and demonstrated our recommended methodology with large customer marketpotential scenarios at an illustrative Northeastern utility. We recommendan elasticity approach for large-customer DR options that rely oncusto!

ReportDOI
TL;DR: The work described in this report was coordinated by the Demand Response Research Center and funded by the California Energy Commission, Public Interest Energy Research Program, under Work for Others Contract No. 500-03-026 and by the U.S. Department of Energy under CONTRACT No. DE-AC02- 05CH11231.
Abstract: LBNL-62226 Demand Responsive Lighting: A Scoping Study Francis Rubinstein Lawrence Berkeley National Laboratory Sila Kiliccote Lawrence Berkeley National Laboratory 1 Cyclotron Rd. Building 90R3111 Berkeley CA 94720 January 3, 2007 This work described in this report was coordinated by the Demand Response Research Center and funded by the California Energy Commission, Public Interest Energy Research Program, under Work for Others Contract No. 500-03-026 and by the U.S. Department of Energy under Contract No. DE-AC02- 05CH11231.

ReportDOI
TL;DR: In this paper, the authors synthesize and analyzes the results and methodologies of 28 distinct state or utility-level RPS cost impact analyses completed since 1998, and highlight the key findings of these studies on the costs and benefits of RPS policies, examine the sensitivity of projected costs to model assumptions, assess the attributes of different modeling approaches, and suggest possible areas of improvement for future RPS analysis.
Abstract: State renewables portfolio standards (RPS) have emerged as one of the most important policy drivers of renewable energy capacity expansion in the U.S. Collectively, these policies now apply to roughly 40% of U.S. electricity load, and may have substantial impacts on electricity markets, ratepayers, and local economies. As RPS policies have been proposed or adopted in an increasing number of states, a growing number of studies have attempted to quantify the potential impacts of these policies, focusing primarily on projecting cost impacts, but sometimes also estimating macroeconomic and environmental effects. This report synthesizes and analyzes the results and methodologies of 28 distinct state or utility-level RPS cost impact analyses completed since 1998. Together, these studies model proposed or adopted RPS policies in 18 different states. We highlight the key findings of these studies on the costs and benefits of RPS policies, examine the sensitivity of projected costs to model assumptions, assess the attributes of different modeling approaches, and suggest possible areas of improvement for future RPS analysis.

Journal Article
TL;DR: In this article, the authors present a summary of the density and type of plug load equipment found as well as the estimated total energy consumption of the equipment, and present equipment trends observed and provide insights to how policy makers can target energy efficiency for this growing end use.
Abstract: Evidence of electric plug loads in commercial buildings is visible everyday: space heaters, portable fans, and the IT technician's two monitors connected to one PC. The Energy Information Administration estimates that office and miscellaneous equipment together will consume 2.18 quads in 2006, nearly 50 percent of U.S. commercial electricity use. Although the importance of commercial plug loads is documented, its very nature (diverse product types, products not installed when building initially constructed, and products often hidden in closets) makes it difficult to accurately count and categorize the end use.We audited sixteen buildings in three cities (San Francisco, Atlanta, Pittsburgh) including office, medical and education building types. We inventoried the number and types of office and miscellaneous electric equipment as well as estimated total energy consumption due to these product types. In total, we audited approximately 4,000 units of office equipment and 6,000 units of miscellaneous equipment and covered a diverse range of products ranging from electric pencil sharpeners with a unit energy consumption (UEC) of 1 kWh/yr to a kiln with a UEC of 7,000 kWh/yr. Our paper presents a summary of the density and type of plug load equipment found as well as the estimated total energy consumption of the equipment. Additionally, we present equipment trends observed and provide insights to how policy makers can target energy efficiency for this growing end use.

ReportDOI
TL;DR: In this article, the authors summarized the history and nature of China s standardsand labeling program and concluded that the S&L programs currently in place in China are expected to save a cumulative 1143 TWh by 2020, or 9 percent of the cumulative consumption of residential electricity to that year.
Abstract: The report summarizes the history and nature of China s standardsand labeling program in the Introduction in Section 1 Trends in domestic production, exports, penetration rates, unit energy consumption and the history of S&L technical levels by product are discussed in great detail in Section 2 The national energy impactsanalysis found in Section 3 concludes that overall China s standards and labeling programs reduce total electricity consumption in 2020 by an annual 106 TWh, or 16 percent of what would otherwise been expected in that year in the absence of standards and labeling programsIn total, the report concludes that the S&L programs currently in place in China are expected to save a cumulative 1143 TWh by 2020, or 9 percent of the cumulative consumption of residential electricity to that year In 2020 alone, annual savings are expected to be equivalent to 11 percent of residential electricity use In average generation terms, this is equivalent to 27 1-GW coal fired plants that would have required around 75 million tonnes of coal to operate In comparison, savings from the US appliance standards program alone is expected to save 10 percent of residential electricity consumption in 2020