Engineers solve energy puzzle: How energy levels align in a critical group of advanced materials

ScienceDaily (Nov. 6, 2011) — University of Toronto materials science and engineering (MSE) researchers have demonstrated for the first time the key mechanism behind how energy levels align in a critical group of advanced materials. This discovery is a significant breakthrough in the development of sustainable technologies such as dye-sensitized solar cells and organic light-emitting diodes (OLEDs).

Transition metal oxides, which are best-known for their application as super-conductors, have made possible many sustainable technologies developed over the last two decades, including organic photovoltaics and organic light-emitting diodes. While it is known that these materials make excellent electrical contacts in organic-based devices, it wasn't known why -- until now.

In research published in Nature Materials, MSE PhD Candidate Mark T. Greiner and Professor Zheng-Hong Lu, Canada Research Chair (Tier I) in Organic Optoelectronics, lay out the blueprint that conclusively establishes the principle of energy alignment at the interface between transition metal oxides and organic molecules.

"The energy-level of molecules on materials surfaces is like a massive jigsaw puzzle that has challenged the scientific community for a very long time," says Professor Lu. "There have been a number of suggested theories with many critical links missing. We have been fortunate to successfully build these links to finally solve this decades-old puzzle."

With this piece of the puzzle solved, this discovery could enable scientists and engineers to design simpler and more efficient organic solar cells and OLEDs to further enhance sustainable technologies and help secure our energy future.

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Note: Materials may be edited for content and length. For further information, please contact the source cited above.

Journal Reference:

Mark T. Greiner, Michael G. Helander, Wing-Man Tang, Zhi-Bin Wang, Jacky Qiu, Zheng-Hong Lu. Universal energy-level alignment of molecules on metal oxides. Nature Materials, 2011; DOI: 10.1038/nmat3159

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Advanced Supercomputer Models Supplant Real-World Nuclear Weapons Tests

Advanced Supercomputer Models Supplant Real-World Nuclear Weapons Tests | Popular Science@import "/files/css/a1c433465f8fe485195cb11d70c36108.css";@import "/files/css/33f6b7ecb4513ed2fe6c670880a27187.css"; home Login/Register Newsletter Subscribe RSS GadgetsComputersCamerasSmartphonesVideo GamesCarsConceptsHybridsElectric CarsScienceFuture of the EnvironmentEnergyHealthPopSci Eco TourTechnologyMilitaryAviationSpaceRobotsEngineeringDIYProjectsHacksToolsAuto DIYMore From Our Partner: Toolmonger GalleriesVideosColumnsThe GrouseSex FilesGreen Dream Innovation ChallengesHow It WorksFeatures Tweet Digg Advanced Supercomputer Models Supplant Real-World Nuclear Weapons Tests But are they accurate? By Rebecca Boyle Posted 11.02.2011 at 5:41 pm 5 Comments
Trinity Test Jack Aeby / Department of Energy

While our friends Jaguar and Ranger toil to model the Earth’s atmosphere, star formation and battery chemistry, other supercomputers are working on classified national security problems. Namely: What happens when a nuclear weapon explodes? Are we sure our nuclear arsenal would actually work, should, God forbid, we decide to use it?

Related ArticlesJaguar, What Are You Working on Today?Jaguar is Getting a GPU Upgrade, to Make it the World's Fastest Supercomputer AgainOak Ridge Labs Using World's Fastest Supercomputer to Model Next-Gen Nuclear PlantsTagsTechnology, Rebecca Boyle, lawrence livermore national laboratory, military, nuclear tests, nuclear weapons, supercomputer, supercomputersAfter live nuclear testing ended (or at least was supposed to end) in 1992, supercomputers supplanted explosions so scientists could continue studying how they work. The nation’s stockpile stewardship program, run by the National Nuclear Security Administration at three national laboratories, checks the nation’s nukes for any problems. Supercomputers at Los Alamos, Sandia and Lawrence Livermore national labs conduct tests that can in some ways go beyond the detail of any live explosion, as the Washington Post reports.

They have found some good news and some bad news, as Sen. Jon Kyl, R-Ariz., puts it: “The good news is that it tells us a lot more about these weapons than we ever knew before. The bad news is that it tells us the weapons have bigger problems that we realized,” he tells the WaPo.

For example, several years ago scientists at Lawrence Livermore National Laboratory modeled the life cycle of a nuke, from the moment it leaves storage to the instant it impacts its target. They found some fatal flaws that would cause the warhead to “fail catastrophically,” as the Post quotes Bruce T. Goodwin, Livermore’s principal associate director for weapons programs. The military has since fixed the problem, the Post reports.

The flaw lay in the weapon’s ballistics handling, not its explosivity, so this is something that could never have been revealed in a physical test, the Post notes. The power of supercomputers to model these types of things could negate the need for physical testing, some officials say — but Congress has still not ratified the Comprehensive Test Ban Treaty (although the U.S. abides by it). It turns out not everyone trusts supercomputers. Kyl believes while they are helpful, they’re not a substitute for testing, the Post quotes him saying. “That’s why, even though we’re not testing right now, we should not give up the legal right to test,” he said.

Click through to the Post's account for the full story on how supercomputers are helping model the most explosive forces in nature.

[Washington Post]

Previous Article: See The Data-Centric Universe, Then and NowNext Article: What Are You Doing Today, iForge? 5 Comments Link to this comment D13 11/02/11 at 10:52 pm

what further testing of "nukes" is needed?

"Do not try and bend the spoon. That's impossible. Instead... only try to realize the truth. There is no spoon."

Link to this comment trireme 11/03/11 at 1:27 am

@ D13- Brand-new-off-the-assembly-line nukes don't need testing, but the US stockpile has many 30+ year old nukes whose components have been bombarded by radiation for all that time. There is a program to refurbish/replace the components on these older weapons, but there is a backlog. Politicians don't like nuclear testing, but many nuclear experts don't trust the computer simulations.

Link to this comment emneumann 11/03/11 at 7:24 am

Not to mention the spontaneous degredation of the fissile and fusable elements that are the true heart of the bomb. Over time, there is less of the U-235 and Deuterium and or Tritium that would produce a lower yield in the best case or prevent a chain reaction altogether in the worst case.

Link to this comment scientific anomaly 11/03/11 at 8:20 am

well thats not extremely good that when its in mid flight it decides to take out the u.s. military base than the enemies. atleast the terrorrists would be dead in the explosion too

-Knock knock
-Who's there?
-The Doctor.
-Doctor Who?
-Yes

Link to this comment Q 11/03/11 at 8:33 am

D13,
Any and all electronic components as they are stored degrade. Some electronic components simply stop working all together sitting on the shelf. With that said, consider how old the original nuclear bombs, missiles and arsenal are. The active ones we have need to be constantly pulled and the electronics constantly test, simply because they are aging.

Besides, over the course of time as you know, there have been many improvements in electronics and so upgrades are made to the weapons too.

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November 2011: Data Is Power

This month, we examine all the ways information is driving our future, from dating to crime to how we see the world.

Plus: turning your smartphone into a wallet, BMW's electric cars, and a space heater with no fan.

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New advanced biofuel identified as an alternative to diesel fuel

ScienceDaily (Sep. 28, 2011) — Researchers with the U.S Department of Energy (DOE)'s Joint BioEnergy Institute (JBEI) have identified a potential new advanced biofuel that could replace today's standard fuel for diesel engines but would be clean, green, renewable and produced in the United States.

Using the tools of synthetic biology, a JBEI research team engineered strains of two microbes, a bacteria and a yeast, to produce a precursor to bisabolane, a member of the terpene class of chemical compounds that are found in plants and used in fragrances and flavorings. Preliminary tests by the team showed that bisabolane's properties make it a promising biosynthetic alternative to Number 2 (D2) diesel fuel.

"This is the first report of bisabolane as a biosynthetic alternative to D2 diesel, and the first microbial overproduction of bisabolene in Escherichia coli and Saccharomyces cerevisiae," says Taek Soon Lee, who directs JBEI's metabolic engineering program and is a project scientist with Lawrence Berkeley National Laboratory (Berkeley Lab)'s Physical Biosciences Division. "This work is also a proof-of-principle for advanced biofuels research in that we've shown that we can design a biofuel target, evaluate this fuel target, and produce the fuel with microbes that we've engineered."

Lee is the corresponding author of a paper reporting this research in the journal Nature Communications. Co-authoring this paper were Pamela Peralta-Yahya, Mario Ouellet, Rossana Chan, Aindrila Mukhopadhyay and Jay Keasling.

The rising costs and growing dependence upon foreign sources of petroleum-based fuels, coupled with scientific fears over how the burning of these fuels impacts global climate, are driving the search for carbon-neutral renewable alternatives. Advanced biofuels -- liquid transportation fuels derived from the cellulosic biomass of perennial grasses and other non-food plants, as well as from agricultural waste -- are highly touted for their potential to replace gasoline, diesel and jet fuels. Unlike ethanol, which can only be used in limited amounts in gasoline engines and can't be used at all in diesel or jet engines, plus would corrode existing oil pipelines and tanks, advanced biofuels are drop-in fuels compatible with today's engines, and delivery and storage infrastructures.

"We desperately need drop-in, renewable biofuels that can directly replace petroleum-derived fuels, particularly for vehicles that cannot be electrified," says co-author Keasling, CEO of JBEI and a leading authority on advanced biofuels. "The technology we describe in our Nature Communications paper is a significant advance in that direction."

JBEI is one of three Bioenergy Research Centers established by the DOE's Office of Science in 2007. Researchers at JBEI are pursuing the fundamental science needed to make production of advanced biofuels cost-effective on a national scale. One of the avenues being explored is sesquiterpenes, terpene compounds that contain 15 carbon atoms (diesel fuel typically contains 10 to 24 carbon atoms).

"Sesquiterpenes have a high-energy content and physicochemical properties similar to diesel and jet fuels," Lee says. "Although plants are the natural source of terpene compounds, engineered microbial platforms would be the most convenient and cost-effective approach for large-scale production of advanced biofuels."

In earlier work, Lee and his group engineered a new mevalonate pathway (a metabolic reaction critical to biosynthesis) in both E. coli and S. cerevisiae that resulted in these two microorganisms over-producing a chemical compound called farnesyl diphosphate (FPP), which can be treated with enzymes to synthesize a desired terpene. In this latest work, Lee and his group used that mevalonate pathway to create bisabolene, which is a precursor to bisabolane.

"We proposed that the generality of the microbial FPP overproduction platforms would allow for the biosynthesis of sesquiterpenes," Lee says. "Through multiple rounds of large-scale preparation in shake flasks, we were able to prepare approximately 20 milliliters of biosynthetic bisabolene, which we then hydrogenated to produce bisabolane."

When they began this work, Lee and his colleagues did not know whether bisabolane could be used as a biofuel, but they targeted it on the basis of its chemical structure. Their first step was to perform fuel property tests on commercially available bisabolene, which comes as part of a mixture of compounds. Convinced they were onto something, the researchers then used biosynthesis to extract pure biosynthetic bisabolene from microbial cultures for hydrogenation into bisabolane. Subsequent fuel property tests on the bisabolane were again promising.

"Bisabolane has properties almost identical to D2 diesel but its branched and cyclic chemical structure gives it much lower freezing and cloud points, which should be advantageous for use as a fuel," Lee says. "Once we confirmed that bisabolane could be a good fuel, we designed a mevalonate pathway to produce the precursor, bisabolene. This was basically the same platform used to produce the anti-malarial drug artemisinin except that we introduced a terpene synthase and further engineered the pathway to improve the bisabolene yield both in E. coli and yeast."

Lee and his colleagues are now preparing to make gallons of bisabolane for tests in actual diesel engines, using the new fermentation facilities at Berkeley Lab's Advanced Biofuels Process Demonstration Unit. The ABPDU is a 15,000 square-foot state-of-the art facility, located in Emeryville, California, designed to help expedite the commercialization of advanced next-generation biofuels by providing industry-scale test beds for discoveries made in the laboratory.

"Once the complete fuel properties of hydrogenated biosynthetic bisabolene can be obtained, we'll be able to do an economic analysis that takes into consideration production variables such as the cost and type of feedstock, biomass depolymerization method, and the microbial yield of biofuel," Lee says. "We will also be able to estimate the impact of byproducts present in the hydrogenated commercial bisabolene, such as farnesane and aromatized bisabolene."

Ultimately, Lee and his colleagues would like to replace the chemical processing step of bisabolene hydrogenation with an alkene reductase enzyme engineered into the E. coli and yeast so that all of the chemistry is performed within the microbes.

"Enzymatic hydrogenation of this type of molecule is a very challenging project and will be a long term goal," Lee says. "Our near-term goal is to develop strains of E. coli and yeast for use in commercial-scale fermenters. Also, we will be investigating the use of sugars from biomass as a source of carbon for producing bisabolene."

Recommend this story on Facebook, Twitter,
and Google +1:

Other bookmarking and sharing tools:

Story Source:

The above story is reprinted (with editorial adaptations by ScienceDaily staff) from materials provided by DOE/Lawrence Berkeley National Laboratory.

Journal Reference:

Pamela P. Peralta-Yahya, Mario Ouellet, Rossana Chan, Aindrila Mukhopadhyay, Jay D. Keasling, Taek Soon Lee. Identification and microbial production of a terpene-based advanced biofuel. Nature Communications, 2011; 2: 483 DOI: 10.1038/ncomms1494

Note: If no author is given, the source is cited instead.

Disclaimer: Views expressed in this article do not necessarily reflect those of ScienceDaily or its staff.

View the original article here

New advanced biofuel identified as an alternative to diesel fuel

ScienceDaily (Sep. 28, 2011) — Researchers with the U.S Department of Energy (DOE)'s Joint BioEnergy Institute (JBEI) have identified a potential new advanced biofuel that could replace today's standard fuel for diesel engines but would be clean, green, renewable and produced in the United States.

Using the tools of synthetic biology, a JBEI research team engineered strains of two microbes, a bacteria and a yeast, to produce a precursor to bisabolane, a member of the terpene class of chemical compounds that are found in plants and used in fragrances and flavorings. Preliminary tests by the team showed that bisabolane's properties make it a promising biosynthetic alternative to Number 2 (D2) diesel fuel.

"This is the first report of bisabolane as a biosynthetic alternative to D2 diesel, and the first microbial overproduction of bisabolene in Escherichia coli and Saccharomyces cerevisiae," says Taek Soon Lee, who directs JBEI's metabolic engineering program and is a project scientist with Lawrence Berkeley National Laboratory (Berkeley Lab)'s Physical Biosciences Division. "This work is also a proof-of-principle for advanced biofuels research in that we've shown that we can design a biofuel target, evaluate this fuel target, and produce the fuel with microbes that we've engineered."

Lee is the corresponding author of a paper reporting this research in the journal Nature Communications. Co-authoring this paper were Pamela Peralta-Yahya, Mario Ouellet, Rossana Chan, Aindrila Mukhopadhyay and Jay Keasling.

The rising costs and growing dependence upon foreign sources of petroleum-based fuels, coupled with scientific fears over how the burning of these fuels impacts global climate, are driving the search for carbon-neutral renewable alternatives. Advanced biofuels -- liquid transportation fuels derived from the cellulosic biomass of perennial grasses and other non-food plants, as well as from agricultural waste -- are highly touted for their potential to replace gasoline, diesel and jet fuels. Unlike ethanol, which can only be used in limited amounts in gasoline engines and can't be used at all in diesel or jet engines, plus would corrode existing oil pipelines and tanks, advanced biofuels are drop-in fuels compatible with today's engines, and delivery and storage infrastructures.

"We desperately need drop-in, renewable biofuels that can directly replace petroleum-derived fuels, particularly for vehicles that cannot be electrified," says co-author Keasling, CEO of JBEI and a leading authority on advanced biofuels. "The technology we describe in our Nature Communications paper is a significant advance in that direction."

JBEI is one of three Bioenergy Research Centers established by the DOE's Office of Science in 2007. Researchers at JBEI are pursuing the fundamental science needed to make production of advanced biofuels cost-effective on a national scale. One of the avenues being explored is sesquiterpenes, terpene compounds that contain 15 carbon atoms (diesel fuel typically contains 10 to 24 carbon atoms).

"Sesquiterpenes have a high-energy content and physicochemical properties similar to diesel and jet fuels," Lee says. "Although plants are the natural source of terpene compounds, engineered microbial platforms would be the most convenient and cost-effective approach for large-scale production of advanced biofuels."

In earlier work, Lee and his group engineered a new mevalonate pathway (a metabolic reaction critical to biosynthesis) in both E. coli and S. cerevisiae that resulted in these two microorganisms over-producing a chemical compound called farnesyl diphosphate (FPP), which can be treated with enzymes to synthesize a desired terpene. In this latest work, Lee and his group used that mevalonate pathway to create bisabolene, which is a precursor to bisabolane.

"We proposed that the generality of the microbial FPP overproduction platforms would allow for the biosynthesis of sesquiterpenes," Lee says. "Through multiple rounds of large-scale preparation in shake flasks, we were able to prepare approximately 20 milliliters of biosynthetic bisabolene, which we then hydrogenated to produce bisabolane."

When they began this work, Lee and his colleagues did not know whether bisabolane could be used as a biofuel, but they targeted it on the basis of its chemical structure. Their first step was to perform fuel property tests on commercially available bisabolene, which comes as part of a mixture of compounds. Convinced they were onto something, the researchers then used biosynthesis to extract pure biosynthetic bisabolene from microbial cultures for hydrogenation into bisabolane. Subsequent fuel property tests on the bisabolane were again promising.

"Bisabolane has properties almost identical to D2 diesel but its branched and cyclic chemical structure gives it much lower freezing and cloud points, which should be advantageous for use as a fuel," Lee says. "Once we confirmed that bisabolane could be a good fuel, we designed a mevalonate pathway to produce the precursor, bisabolene. This was basically the same platform used to produce the anti-malarial drug artemisinin except that we introduced a terpene synthase and further engineered the pathway to improve the bisabolene yield both in E. coli and yeast."

Lee and his colleagues are now preparing to make gallons of bisabolane for tests in actual diesel engines, using the new fermentation facilities at Berkeley Lab's Advanced Biofuels Process Demonstration Unit. The ABPDU is a 15,000 square-foot state-of-the art facility, located in Emeryville, California, designed to help expedite the commercialization of advanced next-generation biofuels by providing industry-scale test beds for discoveries made in the laboratory.

"Once the complete fuel properties of hydrogenated biosynthetic bisabolene can be obtained, we'll be able to do an economic analysis that takes into consideration production variables such as the cost and type of feedstock, biomass depolymerization method, and the microbial yield of biofuel," Lee says. "We will also be able to estimate the impact of byproducts present in the hydrogenated commercial bisabolene, such as farnesane and aromatized bisabolene."

Ultimately, Lee and his colleagues would like to replace the chemical processing step of bisabolene hydrogenation with an alkene reductase enzyme engineered into the E. coli and yeast so that all of the chemistry is performed within the microbes.

"Enzymatic hydrogenation of this type of molecule is a very challenging project and will be a long term goal," Lee says. "Our near-term goal is to develop strains of E. coli and yeast for use in commercial-scale fermenters. Also, we will be investigating the use of sugars from biomass as a source of carbon for producing bisabolene."

Recommend this story on Facebook, Twitter,
and Google +1:

Other bookmarking and sharing tools:

Story Source:

The above story is reprinted (with editorial adaptations by ScienceDaily staff) from materials provided by DOE/Lawrence Berkeley National Laboratory.

Journal Reference:

Pamela P. Peralta-Yahya, Mario Ouellet, Rossana Chan, Aindrila Mukhopadhyay, Jay D. Keasling, Taek Soon Lee. Identification and microbial production of a terpene-based advanced biofuel. Nature Communications, 2011; 2: 483 DOI: 10.1038/ncomms1494

Note: If no author is given, the source is cited instead.

Disclaimer: Views expressed in this article do not necessarily reflect those of ScienceDaily or its staff.

View the original article here